Diff of the two buildlogs:
--
--- b1/build.log 2025-03-11 00:57:45.221715879 +0000
+++ b2/build.log 2025-03-11 00:58:54.638588121 +0000
@@ -1,6 +1,6 @@
I: pbuilder: network access will be disabled during build
-I: Current time: Mon Mar 10 12:53:22 -12 2025
-I: pbuilder-time-stamp: 1741654402
+I: Current time: Mon Apr 13 21:20:46 +14 2026
+I: pbuilder-time-stamp: 1776064846
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz]
I: copying local configuration
@@ -22,52 +22,84 @@
dpkg-source: info: unpacking libgridxc_2.1.0-1.debian.tar.xz
I: using fakeroot in build.
I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/2896939/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos15-amd64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Apr 13 07:20 /bin/sh -> /bin/bash
+I: Setting pbuilder2's login shell to /bin/bash
+I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/D02_print_environment starting
I: set
- BUILDDIR='/build/reproducible-path'
- BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
- BUILDUSERNAME='pbuilder1'
- BUILD_ARCH='amd64'
- DEBIAN_FRONTEND='noninteractive'
- DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 '
- DISTRIBUTION='unstable'
- HOME='/root'
- HOST_ARCH='amd64'
+ BASH=/bin/sh
+ BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+ BASH_ALIASES=()
+ BASH_ARGC=()
+ BASH_ARGV=()
+ BASH_CMDS=()
+ BASH_LINENO=([0]="12" [1]="0")
+ BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+ BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+ BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu")
+ BASH_VERSION='5.2.37(1)-release'
+ BUILDDIR=/build/reproducible-path
+ BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+ BUILDUSERNAME=pbuilder2
+ BUILD_ARCH=amd64
+ DEBIAN_FRONTEND=noninteractive
+ DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 '
+ DIRSTACK=()
+ DISTRIBUTION=unstable
+ EUID=0
+ FUNCNAME=([0]="Echo" [1]="main")
+ GROUPS=()
+ HOME=/root
+ HOSTNAME=i-capture-the-hostname
+ HOSTTYPE=x86_64
+ HOST_ARCH=amd64
IFS='
'
- INVOCATION_ID='6a049f5066f14e4e911fa701ed809589'
- LANG='C'
- LANGUAGE='en_US:en'
- LC_ALL='C'
- MAIL='/var/mail/root'
- OPTIND='1'
- PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
- PBCURRENTCOMMANDLINEOPERATION='build'
- PBUILDER_OPERATION='build'
- PBUILDER_PKGDATADIR='/usr/share/pbuilder'
- PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
- PBUILDER_SYSCONFDIR='/etc'
- PPID='2896939'
- PS1='# '
- PS2='> '
+ INVOCATION_ID=896285df49804f36af7ff23790c73646
+ LANG=C
+ LANGUAGE=et_EE:et
+ LC_ALL=C
+ MACHTYPE=x86_64-pc-linux-gnu
+ MAIL=/var/mail/root
+ OPTERR=1
+ OPTIND=1
+ OSTYPE=linux-gnu
+ PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+ PBCURRENTCOMMANDLINEOPERATION=build
+ PBUILDER_OPERATION=build
+ PBUILDER_PKGDATADIR=/usr/share/pbuilder
+ PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+ PBUILDER_SYSCONFDIR=/etc
+ PIPESTATUS=([0]="0")
+ POSIXLY_CORRECT=y
+ PPID=1964565
PS4='+ '
- PWD='/'
- SHELL='/bin/bash'
- SHLVL='2'
- SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.EqwI6T7e/pbuilderrc_3dCJ --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.EqwI6T7e/b1 --logfile b1/build.log libgridxc_2.1.0-1.dsc'
- SUDO_GID='111'
- SUDO_UID='106'
- SUDO_USER='jenkins'
- TERM='unknown'
- TZ='/usr/share/zoneinfo/Etc/GMT+12'
- USER='root'
- _='/usr/bin/systemd-run'
- http_proxy='http://46.16.76.132:3128'
+ PWD=/
+ SHELL=/bin/bash
+ SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+ SHLVL=3
+ SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.EqwI6T7e/pbuilderrc_8GPZ --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.EqwI6T7e/b2 --logfile b2/build.log libgridxc_2.1.0-1.dsc'
+ SUDO_GID=111
+ SUDO_UID=106
+ SUDO_USER=jenkins
+ TERM=unknown
+ TZ=/usr/share/zoneinfo/Etc/GMT-14
+ UID=0
+ USER=root
+ _='I: set'
+ http_proxy=http://213.165.73.152:3128
I: uname -a
- Linux ionos11-amd64 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux
+ Linux i-capture-the-hostname 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux
I: ls -l /bin
- lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/2896939/tmp/hooks/D02_print_environment finished
+ lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
@@ -183,7 +215,7 @@
Get: 70 http://deb.debian.org/debian unstable/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB]
Get: 71 http://deb.debian.org/debian unstable/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB]
Get: 72 http://deb.debian.org/debian unstable/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB]
-Fetched 65.9 MB in 3s (25.2 MB/s)
+Fetched 65.9 MB in 5s (13.4 MB/s)
Preconfiguring packages ...
Selecting previously unselected package libproc2-0:amd64.
(Reading database ...
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19783 files and directories currently installed.)
@@ -493,7 +525,11 @@
fakeroot is already the newest version (1.37-1).
0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
I: Building the package
-I: Running cd /build/reproducible-path/libgridxc-2.1.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../libgridxc_2.1.0-1_source.changes
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for unstable
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/libgridxc-2.1.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../libgridxc_2.1.0-1_source.changes
dpkg-buildpackage: info: source package libgridxc
dpkg-buildpackage: info: source version 2.1.0-1
dpkg-buildpackage: info: source distribution unstable
@@ -551,8 +587,8 @@
-- Using pkg-config to search for libxcf03 - found
-- Searching for libXC library - found
-- Configuring libgridxc tests...
--- Configuring done (2.8s)
--- Generating done (0.1s)
+-- Configuring done (0.4s)
+-- Generating done (0.0s)
CMake Warning:
Manually-specified variables were not used by the project:
@@ -564,7 +600,7 @@
-- Build files have been written to: /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu
make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0'
dh_auto_build -O--buildsystem=cmake
- cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1
+ cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1
make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
/usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu//CMakeFiles/progress.marks
@@ -579,49 +615,49 @@
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-[ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o
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+[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o
[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o
-/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o
-[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o
-[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o
+[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o
+[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o
[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o
-/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o
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-[ 13%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o
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[ 17%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/array.F90.o
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-[ 21%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o
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+/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o
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/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ldaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o
-[ 25%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o
-/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o
-[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o
-[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o
-/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sys.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_bessph.mod CMakeFiles/libgridxc-lib.dir/gridxc_bessph.mod.stamp GNU
-/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o.provides.build
+/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sorting.mod CMakeFiles/libgridxc-lib.dir/gridxc_sorting.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o.provides.build
@@ -630,17 +666,17 @@
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_lda.mod CMakeFiles/libgridxc-lib.dir/gridxc_lda.mod.stamp GNU
-/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_minvec.mod CMakeFiles/libgridxc-lib.dir/gridxc_minvec.mod.stamp GNU
+/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o.provides.build
[ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o
+/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU
+/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_interpolation.mod CMakeFiles/libgridxc-lib.dir/gridxc_interpolation.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o.provides.build
[ 35%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/mesh1d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o
-/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU
-/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_array.mod CMakeFiles/libgridxc-lib.dir/gridxc_array.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/array.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_mesh1d.mod CMakeFiles/libgridxc-lib.dir/gridxc_mesh1d.mod.stamp GNU
@@ -650,14 +686,14 @@
[ 37%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/xc_hybrids.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU
+/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_alloc.mod CMakeFiles/libgridxc-lib.dir/gridxc_alloc.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build
+/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o.provides.build
[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o
-/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_alloc.mod CMakeFiles/libgridxc-lib.dir/gridxc_alloc.mod.stamp GNU
-/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o.provides.build
[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o
-/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o
[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o
+/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_moreparallelsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_moreparallelsubs.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o.provides.build
@@ -674,17 +710,17 @@
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/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build
[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o
-/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o
[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o
+/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o
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-/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o.provides.build
-[ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o
-/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o
-[ 52%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o
+/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU
+[ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/fftr.F90 -o CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o
+/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build
+[ 52%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o
+/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fftr.mod CMakeFiles/libgridxc-lib.dir/gridxc_fftr.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_vv_vdwxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_vv_vdwxc.mod.stamp GNU
@@ -697,8 +733,8 @@
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/xcmod.F90 -o CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xcmod.mod CMakeFiles/libgridxc-lib.dir/gridxc_xcmod.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o.provides.build
-[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o
[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o
+[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o
/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_atom.mod CMakeFiles/libgridxc-lib.dir/gridxc_atom.mod.stamp GNU
@@ -720,141 +756,141 @@
make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend
make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend
make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color="
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color="
+make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend
-make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color="
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color="
+make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color="
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color="
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal".
Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal".
Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal".
-Scanning dependencies of target libgridxc-test2
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Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal".
-Scanning dependencies of target libgridxc-test3
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-Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal".
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Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal".
Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal".
Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal".
-make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build
-Scanning dependencies of target libgridxc-test_libxc2
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal".
+Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal".
+Scanning dependencies of target libgridxc-test_match
+Scanning dependencies of target libgridxc-test6
+Scanning dependencies of target libgridxc-test2
+Scanning dependencies of target libgridxc-test3
Scanning dependencies of target libgridxc-test4
Scanning dependencies of target libgridxc-test_libxc
-make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build
+Scanning dependencies of target libgridxc-test_libxc2
+Scanning dependencies of target libgridxc-test_hse06
+Scanning dependencies of target libgridxc-test1
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal".
-make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build
-Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal".
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal".
-Scanning dependencies of target libgridxc-test1
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
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-Scanning dependencies of target libgridxc-test6
-Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal".
-Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal".
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-Scanning dependencies of target libgridxc-test_match
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-Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal".
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make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-Scanning dependencies of target libgridxc-test_hse06
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
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make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
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make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build
-[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o
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-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o
-[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o
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-[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o
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make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build
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make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o
-[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o
-[ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o
+[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o
+[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o
+[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o
+[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o
-[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o
-[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o
+[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o
+[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o
+[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o
-[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o
+[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o
-[ 84%] Linking Fortran executable libgridxc-test_libxc
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o
+[ 86%] Linking Fortran executable libgridxc-test_match
[ 86%] Linking Fortran executable libgridxc-test_hse06
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1
[ 88%] Linking Fortran executable libgridxc-test_libxc2
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1
-[ 90%] Linking Fortran executable libgridxc-test2
+[ 90%] Linking Fortran executable libgridxc-test_libxc
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1
+[ 92%] Linking Fortran executable libgridxc-test2
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1
-[ 92%] Linking Fortran executable libgridxc-test_match
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1
-/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
-[ 94%] Linking Fortran executable libgridxc-test6
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_hse06.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
+/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_match.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-[ 94%] Built target libgridxc-test_libxc
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+[ 94%] Linking Fortran executable libgridxc-test6
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1
[ 94%] Built target libgridxc-test_hse06
+[ 94%] Built target libgridxc-test_match
/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
[ 94%] Built target libgridxc-test_libxc2
+[ 94%] Built target libgridxc-test_libxc
/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_match.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-[ 96%] Linking Fortran executable libgridxc-test1
-[ 96%] Built target libgridxc-test_match
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1
-[ 98%] Linking Fortran executable libgridxc-test4
+[ 94%] Built target libgridxc-test2
+[ 94%] Built target libgridxc-test6
+[ 96%] Linking Fortran executable libgridxc-test4
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1
-[ 98%] Built target libgridxc-test6
-[ 98%] Built target libgridxc-test2
+/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test4.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+[ 96%] Built target libgridxc-test4
+[ 98%] Linking Fortran executable libgridxc-test1
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1
/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test1.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
[ 98%] Built target libgridxc-test1
-/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test4.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-[ 98%] Built target libgridxc-test4
[100%] Linking Fortran executable libgridxc-test3
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1
/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test3.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test3.dir/test3.F90.o" -o libgridxc-test3 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so
@@ -864,10 +900,10 @@
/usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles 0
make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
dh_auto_test -O--buildsystem=cmake
- cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20
+ cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42
make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
Running tests...
-/usr/bin/ctest --force-new-ctest-process --verbose -j20
+/usr/bin/ctest --force-new-ctest-process --verbose -j42
UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/DartConfiguration.tcl
UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/DartConfiguration.tcl
Test project /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu
@@ -934,10 +970,10 @@
9: Test timeout computed to be: 10000000
1:
1: iSpin dens gradDens
-1: 1 0.012454543 -0.042213968 -0.049800384 -0.087445317
-1: 2 0.009313792 -0.034572745 -0.040770982 0.059800064
-1: 3 -0.001792404 -0.041565102 -0.051024354 -0.022031202
-1: 4 0.000126122 0.069545898 -0.043085606 -0.029092985
+1: 1 0.012454543 -0.061346294 -0.068923405 -0.106577679
+1: 2 0.009313792 -0.097071676 0.032777474 0.040672409
+1: 3 -0.001792404 -0.094792515 0.005206488 0.032900796
+1: 4 0.000126122 -0.028726647 0.033749071 0.070134047
1:
1: func auth xyz iSpin Ex|Ec deriv(anal) deriv(num) diff err
1: LDA PZ 0 1 Ex -0.286794975 -0.286794983 0.000000008 0
@@ -946,8 +982,8 @@
1: LDA PZ 0 2 Ec -0.055267488 -0.055267488 0.000000000 0
1: LDA PZ 0 3 Ex 0.015230538 0.015230538 0.000000000 0
1: LDA PZ 0 3 Ec -0.005677969 -0.005677969 0.000000000 0
-1: LDA PZ 0 4 Ex -0.001071693 -0.001071690 0.000000003 0
-1: LDA PZ 0 4 Ec 0.000399529 0.000399528 0.000000001 0
+1: LDA PZ 0 4 Ex -0.001071693 -0.001071695 0.000000002 0
+1: LDA PZ 0 4 Ec 0.000399529 0.000399529 0.000000000 0
1:
1: LDA PW92 0 1 Ex -0.286794967 -0.286794960 0.000000007 0
1: LDA PW92 0 1 Ec -0.045526830 -0.045526830 0.000000000 0
@@ -955,798 +991,799 @@
1: LDA PW92 0 2 Ec -0.054196335 -0.054196335 0.000000000 0
1: LDA PW92 0 3 Ex 0.015230537 0.015230537 0.000000000 0
1: LDA PW92 0 3 Ec -0.004947624 -0.004947624 0.000000000 0
-1: LDA PW92 0 4 Ex -0.001071693 -0.001071690 0.000000003 0
-1: LDA PW92 0 4 Ec 0.000348138 0.000348137 0.000000001 0
+1: LDA PW92 0 4 Ex -0.001071693 -0.001071692 0.000000002 0
+1: LDA PW92 0 4 Ec 0.000348138 0.000348139 0.000000000 0
1:
-1: GGA PW91 0 1 Ex -0.343346270 -0.786626733 0.443280463 2
-1: GGA PW91 0 1 Ec -0.005089757 -0.005089757 0.000000000 0
-1: GGA PW91 1 1 Ex 0.000403742 0.000403742 0.000000000 0
-1: GGA PW91 1 1 Ec -0.000356059 -0.000356059 0.000000000 0
-1: GGA PW91 2 1 Ex 0.002943123 0.002943123 0.000000000 0
-1: GGA PW91 2 1 Ec -0.000419978 -0.000419978 0.000000000 0
-1: GGA PW91 3 1 Ex 0.021883705 0.021883705 0.000000000 0
-1: GGA PW91 3 1 Ec -0.000128191 -0.000128191 0.000000000 0
-1: GGA PW91 0 2 Ex -0.556047583 -0.112767118 0.443280465 2
-1: GGA PW91 0 2 Ec -0.005298660 -0.005298660 0.000000000 0
-1: GGA PW91 1 2 Ex -0.010591035 -0.010591035 0.000000000 0
-1: GGA PW91 1 2 Ec -0.000356059 -0.000356059 0.000000000 0
-1: GGA PW91 2 2 Ex -0.011211740 -0.011211740 0.000000000 0
-1: GGA PW91 2 2 Ec -0.000419978 -0.000419978 0.000000000 0
-1: GGA PW91 3 2 Ex 0.007471451 0.007471451 0.000000000 0
-1: GGA PW91 3 2 Ec -0.000128191 -0.000128191 0.000000000 0
-1: GGA PW91 0 3 Ex -0.121387112 -0.516089234 0.394702122 2
-1: GGA PW91 0 3 Ec -0.000119220 -0.000119220 0.000000000 0
-1: GGA PW91 1 3 Ex -0.006274640 -0.006274640 0.000000000 0
+1: GGA PW91 0 1 Ex -0.568922409 -0.526661612 0.042260796 2
+1: GGA PW91 0 1 Ec -0.001425545 -0.001425545 0.000000000 0
+1: GGA PW91 1 1 Ex -0.001378028 -0.001378028 0.000000000 0
+1: GGA PW91 1 1 Ec -0.000100633 -0.000100633 0.000000000 0
+1: GGA PW91 2 1 Ex -0.004476778 -0.004476778 0.000000000 0
+1: GGA PW91 2 1 Ec -0.000022961 -0.000022961 0.000000000 0
+1: GGA PW91 3 1 Ex -0.008513248 -0.008513248 0.000000000 0
+1: GGA PW91 3 1 Ec -0.000041866 -0.000041866 0.000000000 0
+1: GGA PW91 0 2 Ex -0.418944885 -0.461205680 0.042260795 2
+1: GGA PW91 0 2 Ec -0.001481359 -0.001481359 0.000000000 0
+1: GGA PW91 1 2 Ex -0.007577573 -0.007577573 0.000000000 0
+1: GGA PW91 1 2 Ec -0.000100633 -0.000100633 0.000000000 0
+1: GGA PW91 2 2 Ex -0.000127952 -0.000127952 0.000000000 0
+1: GGA PW91 2 2 Ec -0.000022961 -0.000022961 0.000000000 0
+1: GGA PW91 3 2 Ex -0.000098407 -0.000098407 0.000000000 0
+1: GGA PW91 3 2 Ec -0.000041866 -0.000041866 0.000000000 0
+1: GGA PW91 0 3 Ex 0.085591095 0.100643768 0.015052672 2
+1: GGA PW91 0 3 Ec -0.000031853 -0.000031853 0.000000000 0
+1: GGA PW91 1 3 Ex -0.003538036 -0.003538036 0.000000000 0
1: GGA PW91 1 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA PW91 2 3 Ex -0.008078079 -0.008078079 0.000000000 0
+1: GGA PW91 2 3 Ex 0.002481844 0.002481844 0.000000000 0
1: GGA PW91 2 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA PW91 3 3 Ex -0.008224970 -0.008224970 0.000000000 0
+1: GGA PW91 3 3 Ex 0.004802289 0.004802289 0.000000000 0
1: GGA PW91 3 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA PW91 0 4 Ex 0.008541375 -0.081441844 0.089983219 2
-1: GGA PW91 0 4 Ec 0.000008389 0.000008389 0.000000000 0
-1: GGA PW91 1 4 Ex 0.000441514 0.000441514 0.000000000 0
+1: GGA PW91 0 4 Ex -0.006022597 -0.318298105 0.312275509 2
+1: GGA PW91 0 4 Ec 0.000002241 0.000002241 0.000000000 0
+1: GGA PW91 1 4 Ex 0.000248953 0.000248953 0.000000000 0
1: GGA PW91 1 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA PW91 2 4 Ex 0.000568412 0.000568412 0.000000000 0
+1: GGA PW91 2 4 Ex -0.000174634 -0.000174634 0.000000000 0
1: GGA PW91 2 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA PW91 3 4 Ex 0.000578748 0.000578748 0.000000000 0
+1: GGA PW91 3 4 Ex -0.000337912 -0.000337912 0.000000000 0
1: GGA PW91 3 4 Ec 0.000000000 0.000000000 0.000000000 0
1:
-1: GGA PBE 0 1 Ex -0.321004021 -0.609813119 0.288809099 2
-1: GGA PBE 0 1 Ec -0.003836473 -0.003836473 0.000000000 0
-1: GGA PBE 1 1 Ex 0.002557269 0.002557269 0.000000000 0
-1: GGA PBE 1 1 Ec -0.000276164 -0.000276164 0.000000000 0
-1: GGA PBE 2 1 Ex 0.005062792 0.005062792 0.000000000 0
-1: GGA PBE 2 1 Ec -0.000325740 -0.000325740 0.000000000 0
-1: GGA PBE 3 1 Ex 0.018953958 0.018953958 0.000000000 0
-1: GGA PBE 3 1 Ec -0.000099426 -0.000099426 0.000000000 0
-1: GGA PBE 0 2 Ex -0.403125367 -0.114316267 0.288809100 2
-1: GGA PBE 0 2 Ec -0.004155140 -0.004155140 0.000000000 0
-1: GGA PBE 1 2 Ex 0.001182467 0.001182467 0.000000000 0
-1: GGA PBE 1 2 Ec -0.000276164 -0.000276164 0.000000000 0
-1: GGA PBE 2 2 Ex 0.001769403 0.001769403 0.000000000 0
-1: GGA PBE 2 2 Ec -0.000325740 -0.000325740 0.000000000 0
-1: GGA PBE 3 2 Ex 0.003727236 0.003727236 0.000000000 0
-1: GGA PBE 3 2 Ec -0.000099426 -0.000099426 0.000000000 0
-1: GGA PBE 0 3 Ex -0.046866063 -0.310440297 0.263574235 2
-1: GGA PBE 0 3 Ec -0.000181861 -0.000181861 0.000000000 0
-1: GGA PBE 1 3 Ex -0.000784590 -0.000784590 0.000000000 0
+1: GGA PBE 0 1 Ex -0.439841467 -0.475846576 0.036005109 2
+1: GGA PBE 0 1 Ec -0.001036197 -0.001036197 0.000000000 0
+1: GGA PBE 1 1 Ex -0.000018316 -0.000018316 0.000000000 0
+1: GGA PBE 1 1 Ec -0.000075105 -0.000075105 0.000000000 0
+1: GGA PBE 2 1 Ex 0.001889043 0.001889043 0.000000000 0
+1: GGA PBE 2 1 Ec -0.000017137 -0.000017137 0.000000000 0
+1: GGA PBE 3 1 Ex 0.003603822 0.003603822 0.000000000 0
+1: GGA PBE 3 1 Ec -0.000031245 -0.000031245 0.000000000 0
+1: GGA PBE 0 2 Ex -0.441889438 -0.405884327 0.036005111 2
+1: GGA PBE 0 2 Ec -0.001121107 -0.001121107 0.000000000 0
+1: GGA PBE 1 2 Ex 0.000276375 0.000276375 0.000000000 0
+1: GGA PBE 1 2 Ec -0.000075105 -0.000075105 0.000000000 0
+1: GGA PBE 2 2 Ex 0.000359022 0.000359022 0.000000000 0
+1: GGA PBE 2 2 Ec -0.000017137 -0.000017137 0.000000000 0
+1: GGA PBE 3 2 Ex 0.000679544 0.000679544 0.000000000 0
+1: GGA PBE 3 2 Ec -0.000031245 -0.000031245 0.000000000 0
+1: GGA PBE 0 3 Ex -0.001168763 -0.026439115 0.025270353 2
+1: GGA PBE 0 3 Ec -0.000048458 -0.000048458 0.000000000 0
+1: GGA PBE 1 3 Ex 0.000168178 0.000168178 0.000000000 0
1: GGA PBE 1 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA PBE 2 3 Ex -0.001879513 -0.001879513 0.000000000 0
+1: GGA PBE 2 3 Ex -0.000873172 -0.000873172 0.000000000 0
1: GGA PBE 2 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA PBE 3 3 Ex -0.008689781 -0.008689781 0.000000000 0
+1: GGA PBE 3 3 Ex -0.001668864 -0.001668864 0.000000000 0
1: GGA PBE 3 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA PBE 0 4 Ex 0.003297719 -0.146499563 0.149797282 2
-1: GGA PBE 0 4 Ec 0.000012797 0.000012797 0.000000000 0
-1: GGA PBE 1 4 Ex 0.000055207 0.000055207 0.000000000 0
+1: GGA PBE 0 4 Ex 0.000082240 0.089256998 0.089174758 2
+1: GGA PBE 0 4 Ec 0.000003410 0.000003410 0.000000000 0
+1: GGA PBE 1 4 Ex -0.000011834 -0.000011834 0.000000000 0
1: GGA PBE 1 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA PBE 2 4 Ex 0.000132251 0.000132251 0.000000000 0
+1: GGA PBE 2 4 Ex 0.000061441 0.000061441 0.000000000 0
1: GGA PBE 2 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA PBE 3 4 Ex 0.000611454 0.000611454 0.000000000 0
+1: GGA PBE 3 4 Ex 0.000117429 0.000117429 0.000000000 0
1: GGA PBE 3 4 Ec 0.000000000 0.000000000 0.000000000 0
1:
-1: GGA RPBE 0 1 Ex -0.308900899 -0.742976327 0.434075427 2
-1: GGA RPBE 0 1 Ec -0.003836473 -0.003836473 0.000000000 0
-1: GGA RPBE 1 1 Ex 0.003546695 0.003546695 0.000000000 0
-1: GGA RPBE 1 1 Ec -0.000276164 -0.000276164 0.000000000 0
-1: GGA RPBE 2 1 Ex 0.007202342 0.007202342 0.000000000 0
-1: GGA RPBE 2 1 Ec -0.000325740 -0.000325740 0.000000000 0
-1: GGA RPBE 3 1 Ex 0.027879880 0.027879880 0.000000000 0
-1: GGA RPBE 3 1 Ec -0.000099426 -0.000099426 0.000000000 0
-1: GGA RPBE 0 2 Ex -0.426242366 0.007833063 0.434075429 2
-1: GGA RPBE 0 2 Ec -0.004155140 -0.004155140 0.000000000 0
-1: GGA RPBE 1 2 Ex 0.000731428 0.000731428 0.000000000 0
-1: GGA RPBE 1 2 Ec -0.000276164 -0.000276164 0.000000000 0
-1: GGA RPBE 2 2 Ex 0.001485318 0.001485318 0.000000000 0
-1: GGA RPBE 2 2 Ec -0.000325740 -0.000325740 0.000000000 0
-1: GGA RPBE 3 2 Ex 0.005749555 0.005749555 0.000000000 0
-1: GGA RPBE 3 2 Ec -0.000099426 -0.000099426 0.000000000 0
-1: GGA RPBE 0 3 Ex -0.066965932 -0.462283727 0.395317795 2
-1: GGA RPBE 0 3 Ec -0.000181861 -0.000181861 0.000000000 0
-1: GGA RPBE 1 3 Ex -0.001606653 -0.001606653 0.000000000 0
+1: GGA RPBE 0 1 Ex -0.511511300 -0.515845526 0.004334227 2
+1: GGA RPBE 0 1 Ec -0.001036197 -0.001036197 0.000000000 0
+1: GGA RPBE 1 1 Ex -0.000008982 -0.000008982 0.000000000 0
+1: GGA RPBE 1 1 Ec -0.000075105 -0.000075105 0.000000000 0
+1: GGA RPBE 2 1 Ex 0.000216459 0.000216459 0.000000000 0
+1: GGA RPBE 2 1 Ec -0.000017137 -0.000017137 0.000000000 0
+1: GGA RPBE 3 1 Ex 0.000413082 0.000413082 0.000000000 0
+1: GGA RPBE 3 1 Ec -0.000031245 -0.000031245 0.000000000 0
+1: GGA RPBE 0 2 Ex -0.468026093 -0.463691864 0.004334228 2
+1: GGA RPBE 0 2 Ec -0.001121107 -0.001121107 0.000000000 0
+1: GGA RPBE 1 2 Ex -0.000001852 -0.000001852 0.000000000 0
+1: GGA RPBE 1 2 Ec -0.000075105 -0.000075105 0.000000000 0
+1: GGA RPBE 2 2 Ex 0.000044640 0.000044640 0.000000000 0
+1: GGA RPBE 2 2 Ec -0.000017137 -0.000017137 0.000000000 0
+1: GGA RPBE 3 2 Ex 0.000085188 0.000085188 0.000000000 0
+1: GGA RPBE 3 2 Ec -0.000031245 -0.000031245 0.000000000 0
+1: GGA RPBE 0 3 Ex 0.024816695 0.021703967 0.003112728 2
+1: GGA RPBE 0 3 Ec -0.000048458 -0.000048458 0.000000000 0
+1: GGA RPBE 1 3 Ex 0.000004069 0.000004069 0.000000000 0
1: GGA RPBE 1 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA RPBE 2 3 Ex -0.003262664 -0.003262664 0.000000000 0
+1: GGA RPBE 2 3 Ex -0.000098056 -0.000098056 0.000000000 0
1: GGA RPBE 2 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA RPBE 3 3 Ex -0.012629618 -0.012629618 0.000000000 0
+1: GGA RPBE 3 3 Ex -0.000187127 -0.000187127 0.000000000 0
1: GGA RPBE 3 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA RPBE 0 4 Ex 0.004712042 -0.208634812 0.213346854 2
-1: GGA RPBE 0 4 Ec 0.000012797 0.000012797 0.000000000 0
-1: GGA RPBE 1 4 Ex 0.000113052 0.000113052 0.000000000 0
+1: GGA RPBE 0 4 Ex -0.001746221 0.007983582 0.009729803 2
+1: GGA RPBE 0 4 Ec 0.000003410 0.000003410 0.000000000 0
+1: GGA RPBE 1 4 Ex -0.000000286 -0.000000286 0.000000000 0
1: GGA RPBE 1 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA RPBE 2 4 Ex 0.000229577 0.000229577 0.000000000 0
+1: GGA RPBE 2 4 Ex 0.000006900 0.000006900 0.000000000 0
1: GGA RPBE 2 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA RPBE 3 4 Ex 0.000888680 0.000888680 0.000000000 0
+1: GGA RPBE 3 4 Ex 0.000013167 0.000013167 0.000000000 0
1: GGA RPBE 3 4 Ec 0.000000000 0.000000000 0.000000000 0
1:
-1: GGA revPBE 0 1 Ex -0.306801679 -0.737072844 0.430271165 2
-1: GGA revPBE 0 1 Ec -0.003836473 -0.003836473 0.000000000 0
-1: GGA revPBE 1 1 Ex 0.003961936 0.003961936 0.000000000 0
-1: GGA revPBE 1 1 Ec -0.000276164 -0.000276164 0.000000000 0
-1: GGA revPBE 2 1 Ex 0.007751110 0.007751110 0.000000000 0
-1: GGA revPBE 2 1 Ec -0.000325740 -0.000325740 0.000000000 0
-1: GGA revPBE 3 1 Ex 0.028549140 0.028549140 0.000000000 0
-1: GGA revPBE 3 1 Ec -0.000099426 -0.000099426 0.000000000 0
-1: GGA revPBE 0 2 Ex -0.455950105 -0.025678938 0.430271167 2
-1: GGA revPBE 0 2 Ec -0.004155140 -0.004155140 0.000000000 0
-1: GGA revPBE 1 2 Ex 0.002297471 0.002297471 0.000000000 0
-1: GGA revPBE 1 2 Ec -0.000276164 -0.000276164 0.000000000 0
-1: GGA revPBE 2 2 Ex 0.003237613 0.003237613 0.000000000 0
-1: GGA revPBE 2 2 Ec -0.000325740 -0.000325740 0.000000000 0
-1: GGA revPBE 3 2 Ex 0.005477267 0.005477267 0.000000000 0
-1: GGA revPBE 3 2 Ec -0.000099426 -0.000099426 0.000000000 0
-1: GGA revPBE 0 3 Ex -0.085117935 -0.478219179 0.393101244 2
-1: GGA revPBE 0 3 Ec -0.000181861 -0.000181861 0.000000000 0
-1: GGA revPBE 1 3 Ex -0.000949898 -0.000949898 0.000000000 0
+1: GGA revPBE 0 1 Ex -0.478583316 -0.552430901 0.073847585 2
+1: GGA revPBE 0 1 Ec -0.001036197 -0.001036197 0.000000000 0
+1: GGA revPBE 1 1 Ex -0.000021499 -0.000021499 0.000000000 0
+1: GGA revPBE 1 1 Ec -0.000075105 -0.000075105 0.000000000 0
+1: GGA revPBE 2 1 Ex 0.003900427 0.003900427 0.000000000 0
+1: GGA revPBE 2 1 Ec -0.000017137 -0.000017137 0.000000000 0
+1: GGA revPBE 3 1 Ex 0.007440725 0.007440725 0.000000000 0
+1: GGA revPBE 3 1 Ec -0.000031245 -0.000031245 0.000000000 0
+1: GGA revPBE 0 2 Ex -0.523209360 -0.449361773 0.073847587 2
+1: GGA revPBE 0 2 Ec -0.001121107 -0.001121107 0.000000000 0
+1: GGA revPBE 1 2 Ex 0.000650129 0.000650129 0.000000000 0
+1: GGA revPBE 1 2 Ec -0.000075105 -0.000075105 0.000000000 0
+1: GGA revPBE 2 2 Ex 0.000732995 0.000732995 0.000000000 0
+1: GGA revPBE 2 2 Ec -0.000017137 -0.000017137 0.000000000 0
+1: GGA revPBE 3 2 Ex 0.001385738 0.001385738 0.000000000 0
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+1: GGA revPBE 0 3 Ex -0.025467763 -0.077130314 0.051662551 2
+1: GGA revPBE 0 3 Ec -0.000048458 -0.000048458 0.000000000 0
+1: GGA revPBE 1 3 Ex 0.000383293 0.000383293 0.000000000 0
1: GGA revPBE 1 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA revPBE 2 3 Ex -0.002575820 -0.002575820 0.000000000 0
+1: GGA revPBE 2 3 Ex -0.001807630 -0.001807630 0.000000000 0
1: GGA revPBE 2 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA revPBE 3 3 Ex -0.013166952 -0.013166952 0.000000000 0
+1: GGA revPBE 3 3 Ex -0.003455538 -0.003455538 0.000000000 0
1: GGA revPBE 3 3 Ec -0.000000000 0.000000000 0.000000000 0
-1: GGA revPBE 0 4 Ex 0.005989303 -0.223224368 0.229213671 2
-1: GGA revPBE 0 4 Ec 0.000012797 0.000012797 0.000000000 0
-1: GGA revPBE 1 4 Ex 0.000066839 0.000066839 0.000000000 0
+1: GGA revPBE 0 4 Ex 0.001792033 0.187075451 0.185283418 2
+1: GGA revPBE 0 4 Ec 0.000003410 0.000003410 0.000000000 0
+1: GGA revPBE 1 4 Ex -0.000026970 -0.000026970 0.000000000 0
1: GGA revPBE 1 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA revPBE 2 4 Ex 0.000181247 0.000181247 0.000000000 0
+1: GGA revPBE 2 4 Ex 0.000127193 0.000127193 0.000000000 0
1: GGA revPBE 2 4 Ec 0.000000000 0.000000000 0.000000000 0
-1: GGA revPBE 3 4 Ex 0.000926489 0.000926489 0.000000000 0
+1: GGA revPBE 3 4 Ex 0.000243148 0.000243148 0.000000000 0
1: GGA revPBE 3 4 Ec 0.000000000 0.000000000 0.000000000 0
1:
-1: GGA LYP 0 1 Ex -0.263243001 -0.540611517 0.277368515 2
-1: GGA LYP 0 1 Ec -0.107727122 -0.333095449 0.225368328 2
-1: GGA LYP 1 1 Ex 0.006763585 0.006763585 0.000000000 0
-1: GGA LYP 1 1 Ec -0.021431603 -0.021431603 0.000000000 0
-1: GGA LYP 2 1 Ex 0.010767777 0.010767777 0.000000000 0
-1: GGA LYP 2 1 Ec -0.024522172 -0.024522172 0.000000000 0
-1: GGA LYP 3 1 Ex 0.027020575 0.027020575 0.000000000 0
-1: GGA LYP 3 1 Ec -0.001046970 -0.001046970 0.000000000 0
-1: GGA LYP 0 2 Ex -0.282114909 -0.004746393 0.277368515 2
-1: GGA LYP 0 2 Ec -0.432058629 -0.206690301 0.225368328 2
-1: GGA LYP 1 2 Ex 0.016311864 0.016311864 0.000000000 0
-1: GGA LYP 1 2 Ec -0.033577141 -0.033577141 0.000000000 0
-1: GGA LYP 2 2 Ex 0.018736889 0.018736889 0.000000000 0
-1: GGA LYP 2 2 Ec -0.038433218 -0.038433218 0.000000000 0
-1: GGA LYP 3 2 Ex 0.001437978 0.001437978 0.000000000 0
-1: GGA LYP 3 2 Ec -0.001764081 -0.001764081 0.000000000 0
-1: GGA LYP 0 3 Ex -0.010770062 -0.275948540 0.265178478 2
-1: GGA LYP 0 3 Ec -0.185093662 -0.378498901 0.193405240 2
-1: GGA LYP 1 3 Ex 0.005449134 0.005449134 0.000000000 0
-1: GGA LYP 1 3 Ec -0.006931371 -0.006931371 0.000000000 0
-1: GGA LYP 2 3 Ex 0.004547915 0.004547915 0.000000000 0
-1: GGA LYP 2 3 Ec -0.007938934 -0.007938934 0.000000000 0
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+1: GGA B88 0 2 Ex -0.723428880 -0.729670564 0.006241685 2
+1: GGA B88 0 3 Ex -0.050029687 -0.070546818 0.020517131 2
+1: GGA B88 0 4 Ex -0.032159818 -0.018482527 0.013677291 2
+1: GGA C09 0 1 Ex -0.442296889 -0.451895525 0.009598636 2
+1: GGA C09 0 2 Ex -0.698866884 -0.689268246 0.009598638 2
+1: GGA C09 0 3 Ex 0.068290231 0.086809839 0.018519608 2
+1: GGA C09 0 4 Ex 0.043897964 0.043138311 0.000759653 2
+1: GGA BH 0 1 Ex -0.799425262 -0.806783641 0.007358380 2
+1: GGA BH 0 2 Ex -0.727888153 -0.720529771 0.007358383 2
+1: GGA BH 0 3 Ex -0.019040752 -0.005690413 0.013350339 2
+1: GGA BH 0 4 Ex -0.012239675 -0.011504510 0.000735165 2
+1:
+1: iSpin dens gradDens
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+1: 2 0.489664834 -0.336026645 -0.609631987 3.058982819
+1: 3 -0.183944589 -0.316949310 1.014770269 -1.827710012
+1: 4 -0.053249830 0.401096796 0.477135350 -1.354955282
+1: GGA PW91 0 1 Ex -0.697750259 -0.703115434 0.005365176 2
+1: GGA PW91 0 2 Ex -0.891063650 -0.885698488 0.005365163 2
+1: GGA PW91 0 3 Ex 0.105208285 0.097126474 0.008081811 2
+1: GGA PW91 0 4 Ex 0.030456581 0.075401028 0.044944447 2
+1: GGA PBE 0 1 Ex -0.885876417 -0.886747583 0.000871166 2
+1: GGA PBE 0 2 Ex -0.919455914 -0.918584757 0.000871157 2
+1: GGA PBE 0 3 Ex 0.018275202 0.003981360 0.014293842 2
+1: GGA PBE 0 4 Ex 0.005290460 0.057431421 0.052140961 2
+1: GGA RPBE 0 1 Ex -0.895689449 -0.897009334 0.001319885 2
+1: GGA RPBE 0 2 Ex -0.874695321 -0.873375446 0.001319875 2
+1: GGA RPBE 0 3 Ex -0.011425780 -0.029431690 0.018005910 2
+1: GGA RPBE 0 4 Ex -0.003307631 0.063080234 0.066387865 2
+1: GGA revPBE 0 1 Ex -1.034638887 -1.035506394 0.000867506 2
+1: GGA revPBE 0 2 Ex -0.914459904 -0.913592406 0.000867498 2
+1: GGA revPBE 0 3 Ex -0.065405840 -0.082893089 0.017487250 2
+1: GGA revPBE 0 4 Ex -0.018934234 0.044226324 0.063160557 2
+1: GGA LYP 0 1 Ex -0.719107231 -0.705201249 0.013905982 2
+1: GGA LYP 0 1 Ec -0.004955888 -0.014068979 0.009113091 2
+1: GGA LYP 0 2 Ex -0.885593833 -0.899499816 0.013905983 2
+1: GGA LYP 0 2 Ec 0.023287886 0.032400977 0.009113091 2
+1: GGA LYP 0 3 Ex 0.090608155 0.057336877 0.033271278 2
+1: GGA LYP 0 3 Ec -0.015371305 -0.018842042 0.003470737 2
+1: GGA LYP 0 4 Ex 0.026230012 0.097029416 0.070799404 2
+1: GGA LYP 0 4 Ec -0.004449815 0.036460607 0.040910422 2
+1: GGA WC 0 1 Ex -0.887883129 -0.888423269 0.000540141 2
+1: GGA WC 0 2 Ex -0.955674913 -0.955134781 0.000540132 2
+1: GGA WC 0 3 Ex 0.036894792 0.026589145 0.010305647 2
+1: GGA WC 0 4 Ex 0.010680615 0.047994335 0.037313720 2
+1: GGA PBEJsJrLO 0 1 Ex -0.878419155 -0.879027838 0.000608684 2
+1: GGA PBEJsJrLO 0 2 Ex -0.922717212 -0.922108538 0.000608675 2
+1: GGA PBEJsJrLO 0 3 Ex 0.024108638 0.012372189 0.011736449 2
+1: GGA PBEJsJrLO 0 4 Ex 0.006979172 0.049452939 0.042473767 2
+1: GGA PBEJsJrHEG 0 1 Ex -0.793043801 -0.793643790 0.000599989 2
+1: GGA PBEJsJrHEG 0 2 Ex -0.926453171 -0.925853192 0.000599979 2
+1: GGA PBEJsJrHEG 0 3 Ex 0.072606304 0.062773579 0.009832725 2
+1: GGA PBEJsJrHEG 0 4 Ex 0.021018685 0.056888687 0.035870003 2
+1: GGA PBEGcGxLO 0 1 Ex -0.873651502 -0.874107747 0.000456245 2
+1: GGA PBEGcGxLO 0 2 Ex -0.927559214 -0.927102978 0.000456236 2
+1: GGA PBEGcGxLO 0 3 Ex 0.029338567 0.018960649 0.010377918 2
+1: GGA PBEGcGxLO 0 4 Ex 0.008493176 0.045790295 0.037297119 2
+1: GGA PBEGcGxHEG 0 1 Ex -0.790315219 -0.790818968 0.000503749 2
+1: GGA PBEGcGxHEG 0 2 Ex -0.926827016 -0.926323276 0.000503740 2
+1: GGA PBEGcGxHEG 0 3 Ex 0.074294760 0.065420917 0.008873842 2
+1: GGA PBEGcGxHEG 0 4 Ex 0.021507473 0.053759716 0.032252244 2
+1: GGA PBESOL 0 1 Ex -0.873651502 -0.874107747 0.000456245 2
+1: GGA PBESOL 0 2 Ex -0.927559214 -0.927102978 0.000456236 2
+1: GGA PBESOL 0 3 Ex 0.029338567 0.018960649 0.010377918 2
+1: GGA PBESOL 0 4 Ex 0.008493176 0.045790295 0.037297119 2
+1: GGA AM05 0 1 Ex -0.622785714 -0.613287409 0.009498304 2
+1: GGA AM05 0 1 Ec -0.112813009 -0.112798846 0.000014163 2
+1: GGA AM05 0 2 Ex -0.878646201 -0.888144506 0.009498305 2
+1: GGA AM05 0 2 Ec -0.057981744 -0.057995908 0.000014163 2
+1: GGA AM05 0 3 Ex 0.139248723 0.120540120 0.018708603 2
+1: GGA AM05 0 3 Ec -0.029841199 -0.029640166 0.000201033 2
+1: GGA AM05 0 4 Ex 0.040310894 0.074793599 0.034482705 2
+1: GGA AM05 0 4 Ec -0.008638682 -0.009378073 0.000739391 2
+1: GGA PW86 0 1 Ex -0.848099665 -0.844323196 0.003776469 2
+1: GGA PW86 0 2 Ex -0.936544663 -0.940321141 0.003776477 2
+1: GGA PW86 0 3 Ex 0.048135033 0.027762019 0.020373014 2
+1: GGA PW86 0 4 Ex 0.013934535 0.072325516 0.058390982 2
+1: GGA B88 0 1 Ex -0.718885374 -0.704980315 0.013905059 2
+1: GGA B88 0 2 Ex -0.885087241 -0.898992305 0.013905064 2
+1: GGA B88 0 3 Ex 0.090453192 0.057188795 0.033264397 2
+1: GGA B88 0 4 Ex 0.026185152 0.096963747 0.070778595 2
+1: GGA C09 0 1 Ex -1.036283949 -1.036415834 0.000131884 2
+1: GGA C09 0 2 Ex -0.950997967 -0.950866090 0.000131877 2
+1: GGA C09 0 3 Ex -0.046415780 -0.056795913 0.010380133 2
+1: GGA C09 0 4 Ex -0.013436831 0.022838555 0.036275386 2
+1: GGA BH 0 1 Ex -0.850210085 -0.846363581 0.003846504 2
+1: GGA BH 0 2 Ex -0.898993173 -0.902839683 0.003846510 2
+1: GGA BH 0 3 Ex 0.026549557 0.009903286 0.016646271 2
+1: GGA BH 0 4 Ex 0.007685790 0.052980960 0.045295171 2
+1:
+1: iSpin dens gradDens
+1: 1 0.088828450 0.531912135 1.060639279 -0.647199272
+1: 2 0.129872533 0.470993761 0.624013303 0.268094667
+1: 3 -0.009782426 0.368439049 -1.044985097 0.461817304
+1: 4 0.018983055 1.022777800 0.196412358 0.683920693
+1: GGA PW91 0 1 Ex -0.804833471 -0.929634957 0.124801486 2
+1: GGA PW91 0 2 Ex -0.784617337 -0.659815833 0.124801504 2
+1: GGA PW91 0 3 Ex -0.004818303 -0.034176431 0.029358128 2
+1: GGA PW91 0 4 Ex 0.009350044 -0.140698329 0.150048374 2
+1: GGA PBE 0 1 Ex -0.725823715 -0.818099765 0.092276050 2
+1: GGA PBE 0 2 Ex -0.767426544 -0.675150476 0.092276069 2
+1: GGA PBE 0 3 Ex 0.009915597 -0.119713207 0.129628804 2
+1: GGA PBE 0 4 Ex -0.019241477 -0.185799422 0.166557945 2
+1: GGA RPBE 0 1 Ex -0.854197157 -0.979919246 0.125722089 2
+1: GGA RPBE 0 2 Ex -0.852503316 -0.726781207 0.125722109 2
+1: GGA RPBE 0 3 Ex -0.000403709 -0.061684454 0.061280745 2
+1: GGA RPBE 0 4 Ex 0.000783409 -0.166710702 0.167494111 2
+1: GGA revPBE 0 1 Ex -0.710311822 -0.865243707 0.154931885 2
+1: GGA revPBE 0 2 Ex -0.722652790 -0.567720883 0.154931906 2
+1: GGA revPBE 0 3 Ex 0.002941340 -0.249537383 0.252478723 2
+1: GGA revPBE 0 4 Ex -0.005707748 -0.303308671 0.297600923 2
+1: GGA LYP 0 1 Ex -0.507914278 -0.676084962 0.168170684 2
+1: GGA LYP 0 1 Ec -0.124887661 -0.321005564 0.196117903 2
+1: GGA LYP 0 2 Ex -0.565218671 -0.397047987 0.168170684 2
+1: GGA LYP 0 2 Ec -0.144932498 0.051185404 0.196117903 2
+1: GGA LYP 0 3 Ex 0.013657900 -0.487624846 0.501282747 2
+1: GGA LYP 0 3 Ec 0.004777476 0.292531134 0.287753658 2
3:
3: funcs= VDW
3: auths= BH
@@ -1754,81 +1791,42 @@
6: dr, rMax = 0.200000 20.000000
6: iSpin r dens Vxc dExc/dDens diff
6: 1 0.000 0.047620227 -1.002697110
-6: 1 0.200 0.047382720 -1.001038284 -1.001038551 0.000000268
-6: 1 0.400 0.046677283 -0.996061805 -0.996061683 -0.000000123
-6: 1 0.600 0.045524817 -0.988809470 -0.988809466 -0.000000004
-6: 1 0.800 0.043959010 -0.977974562 -0.977974594 0.000000032
-6: 1 1.000 0.042024703 -0.964863927 -0.964863911 -0.000000016
-6: 1 1.200 0.039775757 -0.948686877 -0.948686868 -0.000000009
-6: 1 1.400 0.037272568 -0.930171029 -0.930171020 -0.000000008
-6: 1 1.600 0.034579382 -0.909220984 -0.909220986 0.000000002
-6: 1 1.800 0.031761587 -0.886131875 -0.886131875 0.000000000
-6: 1 2.000 0.028883127 -0.861091739 -0.861091737 -0.000000002
-6: 1 2.200 0.026004187 -0.834328425 -0.834328420 -0.000000004
-6: 1 2.400 0.023179251 -0.806073217 -0.806073215 -0.000000003
-6: 1 2.600 0.020455616 -0.776561113 -0.776561113 -0.000000000
-6: 1 2.800 0.017872394 -0.746026275 -0.746026272 -0.000000003
-6: 1 3.000 0.015460016 -0.714697437 -0.714697441 0.000000004
-6: 1 3.200 0.013240188 -0.682792452 -0.682792455 0.000000003
+6: 1 0.200 0.047382720 -1.001038284 -1.001037895 -0.000000389
+6: 1 0.400 0.046677283 -0.996061805 -0.996061937 0.000000132
+6: 1 0.600 0.045524817 -0.988809470 -0.988809492 0.000000022
+6: 1 0.800 0.043959010 -0.977974562 -0.977974581 0.000000019
+6: 1 1.000 0.042024703 -0.964863927 -0.964863896 -0.000000031
+6: 1 1.200 0.039775757 -0.948686877 -0.948686900 0.000000023
+6: 1 1.400 0.037272568 -0.930171029 -0.930171038 0.000000009
+6: 1 1.600 0.034579382 -0.909220984 -0.909220985 0.000000000
+6: 1 1.800 0.031761587 -0.886131875 -0.886131876 0.000000001
+6: 1 2.000 0.028883127 -0.861091739 -0.861091742 0.000000003
+6: 1 2.200 0.026004187 -0.834328425 -0.834328427 0.000000002
+6: 1 2.400 0.023179251 -0.806073217 -0.806073216 -0.000000002
+6: 1 2.600 0.020455616 -0.776561113 -0.776561112 -0.000000001
+6: 1 2.800 0.017872394 -0.746026275 -0.746026275 0.000000001
+6: 1 3.000 0.015460016 -0.714697437 -0.714697438 0.000000001
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6: 1 3.400 0.011226266 -0.650510776 -0.650510775 -0.000000001
6: 1 3.600 0.009423960 -0.618021733 -0.618021732 -0.000000000
-6: 1 3.800 0.007832284 -0.585445444 -0.585445440 -0.000000003
-6: 1 4.000 0.006444664 -0.552823710 -0.552823709 -0.000000001
-6: 1 4.200 0.005250115 -0.520082870 -0.520082868 -0.000000002
-6: 1 4.400 0.004234421 -0.487004137 -0.487004139 0.000000003
-6: 1 4.600 0.003381238 -0.453240679 -0.453240680 0.000000001
-6: 1 4.800 0.002673091 -0.418441530 -0.418441530 0.000000000
-6: 1 5.000 0.002092223 -0.382520889 -0.382520888 -0.000000001
-6: 1 5.200 0.001621280 -0.346003183 -0.346003182 -0.000000001
-6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000000
-6: 1 5.600 0.000944766 -0.277074102 -0.277074100 -0.000000002
-6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001
-6: 1 6.000 0.000528944 -0.225324029 -0.225324029 0.000000000
-6: 1 6.200 0.000389881 -0.207630641 -0.207630642 0.000000001
-6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002
-6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000001
-6: 1 6.800 0.000147033 -0.173510692 -0.173510694 0.000000003
-6: 1 7.000 0.000104122 -0.163573430 -0.163573433 0.000000003
-6: 1 7.200 0.000072999 -0.152957536 -0.152957539 0.000000003
-6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000004
-6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006
-6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007
-6: 1 8.000 0.000015954 -0.105308033 -0.105308041 0.000000008
-6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011
-6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012
-6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013
-6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010
-6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005
+6: 1 3.800 0.007832284 -0.585445444 -0.585445443 -0.000000001
+6: 1 4.000 0.006444664 -0.552823710 -0.552823708 -0.000000003
+6: 1 4.200 0.005250115 -0.520082870 -0.520082870 0.000000000
7: dr, rMax = 0.200000 20.000000
7: iSpin r dens Vxc dExc/dDens diff
7: 1 0.000 0.047620227 -0.980238765
-7: 1 0.200 0.047382720 -0.982776277 -0.982776165 -0.000000112
-7: 1 0.400 0.046677283 -0.990388812 -0.990388751 -0.000000061
-7: 1 0.600 0.045524817 -0.975266071 -0.975266099 0.000000028
-7: 1 0.800 0.043959010 -0.975102121 -0.975102097 -0.000000024
-7: 1 1.000 0.042024703 -0.956001234 -0.956001222 -0.000000012
-7: 1 1.200 0.039775757 -0.943081485 -0.943081483 -0.000000002
-7: 1 1.400 0.037272568 -0.921422546 -0.921422549 0.000000003
+7: 1 0.200 0.047382720 -0.982776277 -0.982775986 -0.000000291
+7: 1 0.400 0.046677283 -0.990388812 -0.990388888 0.000000076
+7: 1 0.600 0.045524817 -0.975266071 -0.975266027 -0.000000045
+7: 1 0.800 0.043959010 -0.975102121 -0.975102140 0.000000019
+7: 1 1.000 0.042024703 -0.956001234 -0.956001251 0.000000017
+7: 1 1.200 0.039775757 -0.943081485 -0.943081488 0.000000004
+7: 1 1.400 0.037272568 -0.921422546 -0.921422544 -0.000000002
7: 1 1.600 0.034579382 -0.899005838 -0.899005838 -0.000000001
-7: 1 1.800 0.031761587 -0.874045663 -0.874045663 -0.000000001
-7: 1 2.000 0.028883127 -0.847548881 -0.847548880 -0.000000001
-7: 1 2.200 0.026004187 -0.819424112 -0.819424108 -0.000000004
-7: 1 2.400 0.023179251 -0.789580695 -0.789580703 0.000000008
-7: 1 2.600 0.020455616 -0.758088403 -0.758088402 -0.000000001
-7: 1 2.800 0.017872394 -0.725194479 -0.725194475 -0.000000005
-7: 1 3.000 0.015460016 -0.691188323 -0.691188330 0.000000007
-7: 1 3.200 0.013240188 -0.656330566 -0.656330565 -0.000000001
-7: 1 3.400 0.011226266 -0.620864165 -0.620864163 -0.000000002
-7: 1 3.600 0.009423960 -0.585034090 -0.585034091 0.000000001
-7: 1 3.800 0.007832284 -0.549094197 -0.549094198 0.000000001
-7: 1 4.000 0.006444664 -0.513309680 -0.513309680 -0.000000000
-7: 1 4.200 0.005250115 -0.477958213 -0.477958215 0.000000002
-7: 1 4.400 0.004234421 -0.443329016 -0.443329012 -0.000000004
-7: 1 4.600 0.003381238 -0.409718658 -0.409718658 -0.000000000
-7: 1 4.800 0.002673091 -0.377422521 -0.377422523 0.000000002
-7: 1 5.000 0.002092223 -0.346721404 -0.346721402 -0.000000001
-7: 1 5.200 0.001621280 -0.317864014 -0.317864012 -0.000000002
-8: Ex, Ec: -4.3915197423832835 -0.63516421031255155
+7: 1 1.800 0.031761587 -0.874045663 -0.874045670 0.000000007
+7: 1 2.000 0.028883127 -0.847548881 -0.847548881 -0.000000000
+7: 1 2.200 0.026004187 -0.819424112 -0.819424110 -0.000000001
+8: Ex, Ec: -4.3915197423832755 -0.63516421031255021
8: -1.00270 -1.00104 -0.99606 -0.98881 -0.97797 -0.96486
8: -0.94869 -0.93017 -0.90922 -0.88613 -0.86109 -0.83433
8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051
@@ -1863,7 +1861,7 @@
8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036
8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036
8: -0.00036 -0.00036 -0.00036 -0.00036
-8: Ex, Ec: -4.3915185633273772 -0.63516344579004602
+8: Ex, Ec: -4.3915185633273692 -0.63516344579004436
8: -1.00270 -1.00104 -0.99606 -0.98881 -0.97797 -0.96486
8: -0.94869 -0.93017 -0.90922 -0.88613 -0.86109 -0.83433
8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051
@@ -1898,6 +1896,205 @@
8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000
8: 0.00000 0.00000 0.00000 0.00000
+1: GGA LYP 0 4 Ex -0.026503515 -0.466631148 0.440127634 2
+1: GGA LYP 0 4 Ec -0.009270819 -0.073001911 0.063731093 2
+1: GGA WC 0 1 Ex -0.674196998 -0.794408642 0.120211644 2
+1: GGA WC 0 2 Ex -0.686623610 -0.566411948 0.120211662 2
+1: GGA WC 0 3 Ex 0.002961752 -0.152982163 0.155943916 2
+1: GGA WC 0 4 Ex -0.005747359 -0.216066489 0.210319131 2
+1: GGA PBEJsJrLO 0 1 Ex -0.664429971 -0.763916427 0.099486456 2
+1: GGA PBEJsJrLO 0 2 Ex -0.699505962 -0.600019488 0.099486474 2
+1: GGA PBEJsJrLO 0 3 Ex 0.008359994 -0.149947223 0.158307217 2
+1: GGA PBEJsJrLO 0 4 Ex -0.016222789 -0.205354373 0.189131584 2
+1: GGA PBEJsJrHEG 0 1 Ex -0.671362457 -0.734638661 0.063276204 2
+1: GGA PBEJsJrHEG 0 2 Ex -0.723579701 -0.660303481 0.063276220 2
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+1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec
+2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec
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-1/9 Test #8: libgridxc_test_match ............. Passed 0.05 sec
-2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.03 sec
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+3/9 Test #6: libgridxc_test_libxc ............. Passed 0.04 sec
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-7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783
-7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668
-7: 2 11.000 0.000000008 -0.020221667 -0.020223275 0.000001608
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-7: 2 11.600 0.000000002 -0.016855994 -0.016857326 0.000001332
-7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002262
-3/9 Test #6: libgridxc_test_libxc ............. Passed 0.19 sec
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-4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.19 sec
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-5/9 Test #5: libgridxc_test6 .................. Passed 0.22 sec
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+7: avgDiffVxc, maxDiffVxc = 0.000000679 0.000002261
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+4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.05 sec
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+5/9 Test #5: libgridxc_test6 .................. Passed 0.05 sec
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+1: GGA PBEGcGxHEG 0 4 Ex 0.028964527 0.040304453 0.011339926 2
+1: GGA PBESOL 0 1 Ex -1.222915551 -1.170964193 0.051951358 2
+1: GGA PBESOL 0 2 Ex -1.244654463 -1.296605813 0.051951350 2
+1: GGA PBESOL 0 3 Ex -0.007840596 0.170624543 0.178465139 2
+1: GGA PBESOL 0 4 Ex 0.040991111 0.061351383 0.020360272 2
+1: GGA AM05 0 1 Ex -1.043311186 -1.047649086 0.004337899 2
+1: GGA AM05 0 1 Ec -0.080926111 -0.082754558 0.001828447 2
+1: GGA AM05 0 2 Ex -1.137568476 -1.133230577 0.004337899 2
+1: GGA AM05 0 2 Ec -0.075318602 -0.073490156 0.001828447 2
+1: GGA AM05 0 3 Ex -0.033995875 0.134209333 0.168205208 2
+1: GGA AM05 0 3 Ec 0.002022466 -0.000329164 0.002351630 2
+1: GGA AM05 0 4 Ex 0.177732494 0.211056296 0.033323801 2
+1: GGA AM05 0 4 Ec -0.010573575 -0.010538542 0.000035033 2
+1: GGA PW86 0 1 Ex -1.296995018 -1.213758180 0.083236838 2
+1: GGA PW86 0 2 Ex -1.303167053 -1.386403882 0.083236829 2
+1: GGA PW86 0 3 Ex -0.002226074 0.227809994 0.230036068 2
+1: GGA PW86 0 4 Ex 0.011638052 0.033566729 0.021928678 2
+1: GGA B88 0 1 Ex -1.099874011 -1.060276724 0.039597288 2
+1: GGA B88 0 2 Ex -1.163752162 -1.203349441 0.039597279 2
+1: GGA B88 0 3 Ex -0.023038999 0.283901760 0.306940759 2
+1: GGA B88 0 4 Ex 0.120449283 0.168659678 0.048210395 2
+1: GGA C09 0 1 Ex -0.997391126 -1.001864428 0.004473302 2
+1: GGA C09 0 2 Ex -1.101386363 -1.096913052 0.004473311 2
+1: GGA C09 0 3 Ex -0.037508070 0.220055157 0.257563228 2
+1: GGA C09 0 4 Ex 0.196094466 0.246546178 0.050451711 2
+1: GGA BH 0 1 Ex -1.229267267 -1.182719033 0.046548233 2
+1: GGA BH 0 2 Ex -1.228788977 -1.275337202 0.046548225 2
+1: GGA BH 0 3 Ex 0.000172505 0.212860728 0.212688222 2
+1: GGA BH 0 4 Ex -0.000901868 0.027437168 0.028339036 2
+1:
+1: iSpin dens gradDens
+1: 1 0.000061686 -0.000473860 0.000335443 0.000643403
+1: 2 0.000145847 0.000872345 -0.000579351 0.000213161
+1: 3 0.000015368 0.000336740 0.000919205 -0.000566803
+1: 4 -0.000031663 -0.000192244 -0.000676527 -0.000164066
+1: GGA PW91 0 1 Ex -0.011047256 -0.009855360 0.001191895 2
+1: GGA PW91 0 2 Ex -0.068959676 -0.070151566 0.001191891 2
+1: GGA PW91 0 3 Ex -0.010574693 0.000180473 0.010755166 2
+1: GGA PW91 0 4 Ex 0.021787600 0.025423611 0.003636011 2
+1: GGA PBE 0 1 Ex -0.086024699 -0.086068207 0.000043508 2
+1: GGA PBE 0 2 Ex -0.114088446 -0.114044908 0.000043538 2
+1: GGA PBE 0 3 Ex -0.005124385 -0.005515664 0.000391280 2
+1: GGA PBE 0 4 Ex 0.010558041 0.010425997 0.000132044 2
+1: GGA revPBE 0 1 Ex -0.106598915 -0.106701479 0.000102565 2
+1: GGA revPBE 0 2 Ex -0.139195834 -0.139093231 0.000102603 2
+1: GGA revPBE 0 3 Ex -0.005952133 -0.006873292 0.000921159 2
+1: GGA revPBE 0 4 Ex 0.012263494 0.011952770 0.000310724 2
+1: GGA LYP 0 1 Ex -0.121374979 -0.165472224 0.044097245 2
+1: GGA LYP 0 1 Ec 0.009154161 0.026186059 0.017031898 2
+1: GGA LYP 0 2 Ex -0.096916665 -0.052819420 0.044097245 2
+1: GGA LYP 0 2 Ec -0.017389899 -0.034421797 0.017031898 2
+1: GGA LYP 0 3 Ex 0.004466040 -0.187295227 0.191761266 2
+1: GGA LYP 0 3 Ec -0.004846893 0.049300238 0.054147131 2
+1: GGA LYP 0 4 Ex -0.009201618 -0.043667438 0.034465820 2
+1: GGA LYP 0 4 Ec 0.009986310 0.013631047 0.003644738 2
+1: GGA WC 0 1 Ex -0.085866586 -0.085922970 0.000056385 2
+1: GGA WC 0 2 Ex -0.113307243 -0.113250828 0.000056415 2
+1: GGA WC 0 3 Ex -0.005010610 -0.005506994 0.000496384 2
+1: GGA WC 0 4 Ex 0.010323624 0.010157682 0.000165943 2
+1: GGA PBEJsJrLO 0 1 Ex -0.085848276 -0.085910505 0.000062229 2
+1: GGA PBEJsJrLO 0 2 Ex -0.113011747 -0.112949486 0.000062260 2
+1: GGA PBEJsJrLO 0 3 Ex -0.004959996 -0.005519055 0.000559059 2
+1: GGA PBEJsJrLO 0 4 Ex 0.010219342 0.010030748 0.000188594 2
+1: GGA PBEJsJrHEG 0 1 Ex -0.074079503 -0.074109251 0.000029748 2
+1: GGA PBEJsJrHEG 0 2 Ex -0.098591587 -0.098561812 0.000029774 2
+1: GGA PBEJsJrHEG 0 3 Ex -0.004475858 -0.004743431 0.000267574 2
+1: GGA PBEJsJrHEG 0 4 Ex 0.009221847 0.009131552 0.000090295 2
+1: GGA PBEGcGxLO 0 1 Ex -0.085722350 -0.085797858 0.000075508 2
+1: GGA PBEGcGxLO 0 2 Ex -0.112246492 -0.112170953 0.000075539 2
+1: GGA PBEGcGxLO 0 3 Ex -0.004843256 -0.005521122 0.000677866 2
+1: GGA PBEGcGxLO 0 4 Ex 0.009978816 0.009750206 0.000228610 2
+1: GGA PBEGcGxHEG 0 1 Ex -0.074018711 -0.074054922 0.000036211 2
+1: GGA PBEGcGxHEG 0 2 Ex -0.098220106 -0.098183869 0.000036238 2
+1: GGA PBEGcGxHEG 0 3 Ex -0.004419127 -0.004744651 0.000325524 2
+1: GGA PBEGcGxHEG 0 4 Ex 0.009104961 0.008995129 0.000109832 2
+1: GGA PBESOL 0 1 Ex -0.085722350 -0.085797858 0.000075508 2
+1: GGA PBESOL 0 2 Ex -0.112246492 -0.112170953 0.000075539 2
+1: GGA PBESOL 0 3 Ex -0.004843256 -0.005521122 0.000677866 2
+1: GGA PBESOL 0 4 Ex 0.009978816 0.009750206 0.000228610 2
+1: GGA AM05 0 1 Ex -0.102664661 -0.129924120 0.027259459 2
+1: GGA AM05 0 2 Ex -0.080181103 -0.052921644 0.027259459 2
+1: GGA AM05 0 3 Ex 0.004105453 -0.115572956 0.119678409 2
+1: GGA AM05 0 3 Ec 0.001634689 0.001637734 0.000003045 2
+1: GGA AM05 0 4 Ex -0.008458682 -0.030316613 0.021857931 2
+1: GGA AM05 0 4 Ec -0.003368035 -0.003367019 0.000001016 2
+1: GGA PW86 0 1 Ex -0.130039950 -0.138010360 0.007970410 2
+1: GGA PW86 0 2 Ex -0.115326619 -0.107356151 0.007970468 2
+1: GGA PW86 0 3 Ex 0.002686625 -0.035371471 0.038058096 2
+1: GGA PW86 0 4 Ex -0.005535396 -0.013414103 0.007878707 2
+1: GGA B88 0 1 Ex -0.121374882 -0.165471982 0.044097100 2
+1: GGA B88 0 2 Ex -0.096916702 -0.052819467 0.044097235 2
+1: GGA B88 0 3 Ex 0.004466015 -0.187295088 0.191761103 2
+1: GGA B88 0 4 Ex -0.009201567 -0.043667324 0.034465756 2
+1: GGA C09 0 1 Ex -0.106899743 -0.107006868 0.000107125 2
+1: GGA C09 0 2 Ex -0.140083453 -0.139976290 0.000107163 2
+1: GGA C09 0 3 Ex -0.006059280 -0.007085951 0.001026672 2
+1: GGA C09 0 4 Ex 0.012484255 0.012128381 0.000355874 2
+1: GGA BH 0 1 Ex -0.128887475 -0.136704010 0.007816535 2
+1: GGA BH 0 2 Ex -0.116463935 -0.108647342 0.007816593 2
+1: GGA BH 0 3 Ex 0.002268514 -0.034912091 0.037180605 2
+1: GGA BH 0 4 Ex -0.004673939 -0.012331257 0.007657318 2
+1:
+1: iSpin dens gradDens
+1: 1 0.090131550 9.136765653 12.894600537 -5.377247550
+1: 2 2.689404788 -10.318649825 -4.406919078 -9.843428604
+1: 3 0.352455441 -5.161650824 7.233140006 -0.289378751
+1: 4 -0.181541545 12.425197346 9.004719472 12.801056282
+1: GGA PW91 0 1 Ex -0.037394385 -0.058461979 0.021067594 2
+1: GGA PW91 0 2 Ex -1.609128747 -1.588060978 0.021067769 2
+1: GGA PW91 0 3 Ex -0.213123545 -0.205655314 0.007468232 2
+1: GGA PW91 0 4 Ex 0.109774948 0.275096065 0.165321118 2
+1: GGA PBE 0 1 Ex -0.723317379 -0.744321480 0.021004101 2
+1: GGA PBE 0 2 Ex -1.615412897 -1.594408618 0.021004278 2
+1: GGA PBE 0 3 Ex -0.120966089 -0.113517596 0.007448493 2
+1: GGA PBE 0 4 Ex 0.062306800 0.227135078 0.164828278 2
+1: GGA RPBE 0 1 Ex -0.723071807 -0.745957136 0.022885329 2
+1: GGA RPBE 0 2 Ex -1.601374111 -1.578488608 0.022885503 2
+1: GGA RPBE 0 3 Ex -0.119095761 -0.110980273 0.008115489 2
+1: GGA RPBE 0 4 Ex 0.061343438 0.240934143 0.179590705 2
+1: GGA revPBE 0 1 Ex -0.891137520 -0.913482592 0.022345072 2
+1: GGA revPBE 0 2 Ex -1.609132434 -1.586787186 0.022345248 2
+1: GGA revPBE 0 3 Ex -0.097358450 -0.089434279 0.007924172 2
+1: GGA revPBE 0 4 Ex 0.050147058 0.225498706 0.175351648 2
+1: GGA LYP 0 1 Ex -2.162622856 -2.184724778 0.022101922 2
+1: GGA LYP 0 1 Ec -0.389580178 -0.404057081 0.014476904 2
+1: GGA LYP 0 2 Ex -1.657115678 -1.635013756 0.022101922 2
+1: GGA LYP 0 2 Ec -0.047515105 -0.033038203 0.014476902 2
+1: GGA LYP 0 3 Ex 0.068545604 0.108322707 0.039777103 2
+1: GGA LYP 0 3 Ec 0.046383233 0.035262582 0.011120651 2
+1: GGA LYP 0 4 Ex -0.035306236 0.200144684 0.235450920 2
+1: GGA LYP 0 4 Ec -0.023890917 0.058157400 0.082048317 2
+1: GGA WC 0 1 Ex -0.723913319 -0.740849517 0.016936198 2
+1: GGA WC 0 2 Ex -1.644516188 -1.627579814 0.016936374 2
+1: GGA WC 0 3 Ex -0.124831620 -0.118825570 0.006006051 2
+1: GGA WC 0 4 Ex 0.064297845 0.197203986 0.132906142 2
+1: GGA PBEJsJrLO 0 1 Ex -0.723825769 -0.739111815 0.015286046 2
+1: GGA PBEJsJrLO 0 2 Ex -1.639621005 -1.624334793 0.015286212 2
+1: GGA PBEJsJrLO 0 3 Ex -0.124179716 -0.118758868 0.005420848 2
+1: GGA PBEJsJrLO 0 4 Ex 0.063962064 0.183918721 0.119956657 2
+1: GGA PBEJsJrHEG 0 1 Ex -0.627934601 -0.642404452 0.014469851 2
+1: GGA PBEJsJrHEG 0 2 Ex -1.643577952 -1.629107930 0.014470021 2
+1: GGA PBEJsJrHEG 0 3 Ex -0.137718890 -0.132587558 0.005131332 2
+1: GGA PBEJsJrHEG 0 4 Ex 0.070935775 0.184487327 0.113551552 2
+1: GGA PBEGcGxLO 0 1 Ex -0.724055830 -0.736810729 0.012754899 2
+1: GGA PBEGcGxLO 0 2 Ex -1.650946390 -1.638191325 0.012755065 2
+1: GGA PBEGcGxLO 0 3 Ex -0.125684217 -0.121160908 0.004523308 2
+1: GGA PBEGcGxLO 0 4 Ex 0.064736997 0.164830907 0.100093910 2
+1: GGA PBEGcGxHEG 0 1 Ex -0.628135121 -0.640324123 0.012189003 2
+1: GGA PBEGcGxHEG 0 2 Ex -1.653056284 -1.640867113 0.012189171 2
+1: GGA PBEGcGxHEG 0 3 Ex -0.138976940 -0.134654408 0.004322532 2
+1: GGA PBEGcGxHEG 0 4 Ex 0.071583768 0.167236708 0.095652941 2
+1: GGA PBESOL 0 1 Ex -0.724055830 -0.736810729 0.012754899 2
+1: GGA PBESOL 0 2 Ex -1.650946390 -1.638191325 0.012755065 2
+1: GGA PBESOL 0 3 Ex -0.125684217 -0.121160908 0.004523308 2
+1: GGA PBESOL 0 4 Ex 0.064736997 0.164830907 0.100093910 2
+1: GGA AM05 0 1 Ex -1.848779528 -1.852756396 0.003976868 2
+1: GGA AM05 0 1 Ec -0.250456780 -0.249914400 0.000542380 2
+1: GGA AM05 0 2 Ex -1.713274449 -1.709297577 0.003976872 2
+1: GGA AM05 0 2 Ec -0.052575235 -0.053117616 0.000542381 2
+1: GGA AM05 0 3 Ex 0.018374175 0.038203524 0.019829349 2
+1: GGA AM05 0 3 Ec 0.026832280 0.026639945 0.000192335 2
+1: GGA AM05 0 4 Ex -0.009464107 0.057503763 0.066967870 2
+1: GGA AM05 0 4 Ec -0.013820679 -0.018076940 0.004256261 2
+1: GGA PW86 0 1 Ex -1.827109881 -1.856287573 0.029177692 2
+1: GGA PW86 0 2 Ex -1.573474625 -1.544296754 0.029177871 2
+1: GGA PW86 0 3 Ex 0.034392354 0.047703229 0.013310875 2
+1: GGA PW86 0 4 Ex -0.017714696 0.217009035 0.234723731 2
+1: GGA B88 0 1 Ex -2.162052420 -2.184131891 0.022079471 2
+1: GGA B88 0 2 Ex -1.654435758 -1.632356088 0.022079670 2
+1: GGA B88 0 3 Ex 0.068831646 0.108599162 0.039767516 2
+1: GGA B88 0 4 Ex -0.035453569 0.199819374 0.235272943 2
+1: GGA C09 0 1 Ex -0.892533561 -0.902783647 0.010250086 2
+1: GGA C09 0 2 Ex -1.664712651 -1.654462402 0.010250249 2
+1: GGA C09 0 3 Ex -0.104705699 -0.101070825 0.003634874 2
+1: GGA C09 0 4 Ex 0.053931454 0.134368794 0.080437340 2
+1: GGA BH 0 1 Ex -1.805615143 -1.816430915 0.010815772 2
+1: GGA BH 0 2 Ex -1.681996081 -1.671180144 0.010815937 2
+1: GGA BH 0 3 Ex 0.016762459 0.023521261 0.006758802 2
+1: GGA BH 0 4 Ex -0.008633950 0.081918071 0.090552021 2
1:
1: Some errors found. Error codes:
1: error 1 => V=dE/dDens is positive
1: error 2 => analytical and numerical value of dE/dDens differ
1: error 3 => analytical and numerical value of dE/dGradDens differ
-6/9 Test #1: libgridxc_test1 .................. Passed 0.31 sec
-3: Ex, Ec = -3.716289981 -0.771674483
-3: Dx, Dc = 1.192543612 0.121155159
-3: i1 i2 i3 iSpin Vxc dExc/dDens diff
-3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016
-3: 4 2 23 2 -0.524218962 -0.524218953 -0.000000009
+6/9 Test #1: libgridxc_test1 .................. Passed 0.14 sec
2:
2: funcs= VDW
2: auths= BH
2: dr, rMax = 0.200000 20.000000
2: iSpin r dens Vxc dExc/dDens diff
2: 1 0.000 0.047620227 -0.999477920
-2: 1 0.200 0.047382720 -0.999360161 -1.000195026 0.000834865
-2: 1 0.400 0.046677283 -0.999006885 -0.998709202 -0.000297683
-3: 5 6 2 1 -0.626312320 -0.626312325 0.000000005
-2: 1 0.600 0.045524817 -0.987412253 -0.987507999 0.000095746
-2: 1 0.800 0.043959010 -0.980158453 -0.980143428 -0.000015025
-2: 1 1.000 0.042024703 -0.963929151 -0.963927478 -0.000001674
-2: 1 1.200 0.039775757 -0.949006509 -0.949005827 -0.000000682
-3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005
-2: 1 1.400 0.037272568 -0.929353368 -0.929356366 0.000002998
-2: 1 1.600 0.034579382 -0.908100586 -0.908099070 -0.000001516
-2: 1 1.800 0.031761587 -0.884442948 -0.884442169 -0.000000779
-2: 1 2.000 0.028883127 -0.858808538 -0.858809371 0.000000832
-3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007
-2: 1 2.200 0.026004187 -0.831341143 -0.831341114 -0.000000029
-2: 1 2.400 0.023179251 -0.802320622 -0.802320395 -0.000000227
-2: 1 2.600 0.020455616 -0.772056571 -0.772056924 0.000000353
-2: 1 2.800 0.017872394 -0.740675199 -0.740674874 -0.000000326
-3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011
-2: 1 3.000 0.015460016 -0.708430779 -0.708429554 -0.000001224
-2: 1 3.200 0.013240188 -0.675669578 -0.675674008 0.000004431
+2: 1 0.200 0.047382720 -0.999360161 -1.000195272 0.000835110
+2: 1 0.400 0.046677283 -0.999006885 -0.998709284 -0.000297600
+3: Ex, Ec = -3.716289981 -0.771674483
+3: Dx, Dc = 1.192543612 0.121155159
+2: 1 0.600 0.045524817 -0.987412253 -0.987507997 0.000095744
+2: 1 0.800 0.043959010 -0.980158453 -0.980143411 -0.000015042
+2: 1 1.000 0.042024703 -0.963929151 -0.963927494 -0.000001658
+2: 1 1.200 0.039775757 -0.949006509 -0.949005816 -0.000000694
+2: 1 1.400 0.037272568 -0.929353368 -0.929356351 0.000002982
+2: 1 1.600 0.034579382 -0.908100586 -0.908099083 -0.000001503
+3: i1 i2 i3 iSpin Vxc dExc/dDens diff
+3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016
+2: 1 1.800 0.031761587 -0.884442948 -0.884442167 -0.000000781
+2: 1 2.000 0.028883127 -0.858808538 -0.858809372 0.000000834
+2: 1 2.200 0.026004187 -0.831341143 -0.831341120 -0.000000022
+2: 1 2.400 0.023179251 -0.802320622 -0.802320400 -0.000000222
+2: 1 2.600 0.020455616 -0.772056571 -0.772056928 0.000000357
+2: 1 2.800 0.017872394 -0.740675199 -0.740674876 -0.000000324
+3: 4 2 23 2 -0.524218962 -0.524218953 -0.000000009
+2: 1 3.000 0.015460016 -0.708430779 -0.708429554 -0.000001225
+2: 1 3.200 0.013240188 -0.675669578 -0.675674009 0.000004432
2: 1 3.400 0.011226266 -0.642459702 -0.642454693 -0.000005009
-2: 1 3.600 0.009423960 -0.609091304 -0.609092449 0.000001145
-2: 1 3.800 0.007832284 -0.575839731 -0.575841531 0.000001800
-2: 1 4.000 0.006444664 -0.542697531 -0.542696461 -0.000001070
+2: 1 3.600 0.009423960 -0.609091304 -0.609092450 0.000001146
+2: 1 3.800 0.007832284 -0.575839731 -0.575841530 0.000001799
+2: 1 4.000 0.006444664 -0.542697531 -0.542696459 -0.000001072
+3: 5 6 2 1 -0.626312320 -0.626312322 0.000000002
2: 1 4.200 0.005250115 -0.510078329 -0.510077513 -0.000000816
-2: 1 4.400 0.004234421 -0.478003232 -0.478007540 0.000004308
-2: 1 4.600 0.003381238 -0.446577649 -0.446566565 -0.000011084
-2: 1 4.800 0.002673091 -0.416186718 -0.416202730 0.000016011
-2: 1 5.000 0.002092223 -0.386734472 -0.386724840 -0.000009632
-2: 1 5.200 0.001621280 -0.359258071 -0.359253814 -0.000004257
+2: 1 4.400 0.004234421 -0.478003232 -0.478007537 0.000004305
+2: 1 4.600 0.003381238 -0.446577649 -0.446566565 -0.000011083
+2: 1 4.800 0.002673091 -0.416186718 -0.416202731 0.000016013
+2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009631
+2: 1 5.200 0.001621280 -0.359258071 -0.359253813 -0.000004258
2: 1 5.400 0.001243837 -0.329009264 -0.329019031 0.000009767
-2: 1 5.600 0.000944766 -0.268263860 -0.268258609 -0.000005251
-2: 1 5.800 0.000710460 -0.184072378 -0.184073423 0.000001045
+3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005
+2: 1 5.600 0.000944766 -0.268263860 -0.268258610 -0.000005250
+2: 1 5.800 0.000710460 -0.184072378 -0.184073422 0.000001044
2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000603
-2: 1 6.200 0.000389881 -0.169127143 -0.169125286 -0.000001857
-2: 1 6.400 0.000284517 -0.195915387 -0.195917508 0.000002121
-2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000676
+2: 1 6.200 0.000389881 -0.169127143 -0.169125287 -0.000001857
+2: 1 6.400 0.000284517 -0.195915387 -0.195917509 0.000002122
+2: 1 6.600 0.000205559 -0.203472102 -0.203471425 -0.000000677
+3: 7 3 21 1 -0.491741169 -0.491741178 0.000000009
2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001066
-2: 1 7.000 0.000104122 -0.189565923 -0.189567430 0.000001507
-2: 1 7.200 0.000072999 -0.181016372 -0.181015280 -0.000001093
+2: 1 7.000 0.000104122 -0.189565923 -0.189567429 0.000001506
+2: 1 7.200 0.000072999 -0.181016372 -0.181015279 -0.000001093
2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748
-2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001106
+2: 1 7.600 0.000034818 -0.165710223 -0.165709117 -0.000001106
2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001311
-2: 1 8.000 0.000015954 -0.142174017 -0.142175066 0.000001050
+3: 1 2 0 2 -0.680189858 -0.680189866 0.000000008
+2: 1 8.000 0.000015954 -0.142174017 -0.142175067 0.000001050
2: 1 8.200 0.000010638 -0.126477393 -0.126473509 -0.000003883
2: 1 8.400 0.000007022 -0.110553043 -0.110555103 0.000002060
2: 1 8.600 0.000004589 -0.096226748 -0.096227608 0.000000861
@@ -9522,79 +9591,79 @@
2: 1 9.200 0.000001206 -0.066227937 -0.066230345 0.000002408
2: 1 9.400 0.000000757 -0.059254673 -0.059259092 0.000004419
2: 1 9.600 0.000000470 -0.053256096 -0.053258876 0.000002780
-2: 1 9.800 0.000000289 -0.047889328 -0.047892333 0.000003005
-2: 1 10.000 0.000000176 -0.043050812 -0.043053582 0.000002771
-2: 1 10.200 0.000000106 -0.038722914 -0.038725317 0.000002403
-2: 1 10.400 0.000000063 -0.034770816 -0.034772940 0.000002124
-2: 1 10.600 0.000000037 -0.031177334 -0.031179201 0.000001867
-2: 1 10.800 0.000000022 -0.027908137 -0.027909793 0.000001656
-2: 1 11.000 0.000000013 -0.024937534 -0.024938986 0.000001452
-2: 1 11.200 0.000000007 -0.022242269 -0.022243500 0.000001230
-2: 1 11.400 0.000000004 -0.019801203 -0.019802302 0.000001099
-2: 1 11.600 0.000000002 -0.017594752 -0.017596006 0.000001255
-2: 1 11.800 0.000000001 -0.015604553 -0.015605092 0.000000539
+2: 1 9.800 0.000000289 -0.047889328 -0.047892332 0.000003004
+2: 1 10.000 0.000000176 -0.043050812 -0.043053582 0.000002770
+2: 1 10.200 0.000000106 -0.038722914 -0.038725317 0.000002404
+2: 1 10.400 0.000000063 -0.034770816 -0.034772943 0.000002126
+2: 1 10.600 0.000000037 -0.031177334 -0.031179204 0.000001871
+2: 1 10.800 0.000000022 -0.027908137 -0.027909787 0.000001650
+2: 1 11.000 0.000000013 -0.024937534 -0.024938991 0.000001457
+2: 1 11.200 0.000000007 -0.022242269 -0.022243495 0.000001225
+2: 1 11.400 0.000000004 -0.019801203 -0.019802297 0.000001094
+2: 1 11.600 0.000000002 -0.017594752 -0.017595956 0.000001205
+2: 1 11.800 0.000000001 -0.015604553 -0.015605232 0.000000679
2: iSpin r dens Vxc dExc/dDens diff
2: 2 0.000 0.031746818 -0.915508806
-2: 2 0.200 0.031588480 -0.915751674 -0.916586876 0.000835202
-2: 2 0.400 0.031118189 -0.916480278 -0.916182756 -0.000297522
-2: 2 0.600 0.030349878 -0.905234497 -0.905330241 0.000095744
-2: 2 0.800 0.029306007 -0.899618247 -0.899603248 -0.000014999
-2: 2 1.000 0.028016469 -0.884545454 -0.884543777 -0.000001678
-2: 2 1.200 0.026517171 -0.871612702 -0.871612027 -0.000000675
-2: 2 1.400 0.024848378 -0.853952605 -0.853955589 0.000002984
-2: 2 1.600 0.023052921 -0.835057592 -0.835056074 -0.000001518
-2: 2 1.800 0.021174391 -0.813963082 -0.813962311 -0.000000772
-2: 2 2.000 0.019255418 -0.791103995 -0.791104827 0.000000832
-2: 2 2.200 0.017336125 -0.766590785 -0.766590763 -0.000000022
-2: 2 2.400 0.015452834 -0.740674175 -0.740673948 -0.000000227
-2: 2 2.600 0.013637077 -0.713633471 -0.713633822 0.000000351
-2: 2 2.800 0.011914930 -0.685564496 -0.685564173 -0.000000323
-2: 2 3.000 0.010306678 -0.656691901 -0.656690676 -0.000001225
-2: 2 3.200 0.008826792 -0.627334141 -0.627338570 0.000004429
-2: 2 3.400 0.007484177 -0.597534542 -0.597529527 -0.000005015
-2: 2 3.600 0.006282640 -0.567562765 -0.567563906 0.000001141
-2: 2 3.800 0.005221523 -0.537678412 -0.537680208 0.000001796
-2: 2 4.000 0.004296443 -0.507860006 -0.507858935 -0.000001072
-2: 2 4.200 0.003500077 -0.478500307 -0.478499493 -0.000000815
-2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004308
-2: 2 4.600 0.002254159 -0.421308745 -0.421297660 -0.000011084
-2: 2 4.800 0.001782061 -0.394081537 -0.394097552 0.000016014
-2: 2 5.000 0.001394815 -0.368503162 -0.368493533 -0.000009629
-2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004256
+2: 2 0.200 0.031588480 -0.915751674 -0.916586542 0.000834868
+2: 2 0.400 0.031118189 -0.916480278 -0.916182782 -0.000297496
+2: 2 0.600 0.030349878 -0.905234497 -0.905330327 0.000095830
+2: 2 0.800 0.029306007 -0.899618247 -0.899603217 -0.000015029
+2: 2 1.000 0.028016469 -0.884545454 -0.884543793 -0.000001661
+2: 2 1.200 0.026517171 -0.871612702 -0.871612000 -0.000000703
+2: 2 1.400 0.024848378 -0.853952605 -0.853955599 0.000002994
+2: 2 1.600 0.023052921 -0.835057592 -0.835056071 -0.000001520
+2: 2 1.800 0.021174391 -0.813963082 -0.813962296 -0.000000786
+2: 2 2.000 0.019255418 -0.791103995 -0.791104831 0.000000836
+2: 2 2.200 0.017336125 -0.766590785 -0.766590759 -0.000000026
+2: 2 2.400 0.015452834 -0.740674175 -0.740673955 -0.000000220
+2: 2 2.600 0.013637077 -0.713633471 -0.713633831 0.000000360
+2: 2 2.800 0.011914930 -0.685564496 -0.685564169 -0.000000327
+2: 2 3.000 0.010306678 -0.656691901 -0.656690678 -0.000001223
+2: 2 3.200 0.008826792 -0.627334141 -0.627338576 0.000004435
+2: 2 3.400 0.007484177 -0.597534542 -0.597529533 -0.000005009
+2: 2 3.600 0.006282640 -0.567562765 -0.567563910 0.000001145
+2: 2 3.800 0.005221523 -0.537678412 -0.537680209 0.000001797
+2: 2 4.000 0.004296443 -0.507860006 -0.507858937 -0.000001070
+2: 2 4.200 0.003500077 -0.478500307 -0.478499492 -0.000000815
+2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004307
+2: 2 4.600 0.002254159 -0.421308745 -0.421297661 -0.000011084
+2: 2 4.800 0.001782061 -0.394081537 -0.394097550 0.000016013
+2: 2 5.000 0.001394815 -0.368503162 -0.368493534 -0.000009628
+2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004257
2: 2 5.400 0.000829225 -0.277895720 -0.277905487 0.000009768
-2: 2 5.600 0.000629844 -0.196381546 -0.196376298 -0.000005249
+2: 2 5.600 0.000629844 -0.196381546 -0.196376297 -0.000005249
2: 2 5.800 0.000473640 -0.161618667 -0.161619714 0.000001047
-2: 2 6.000 0.000352629 -0.182070066 -0.182070668 0.000000602
-2: 2 6.200 0.000259921 -0.206718897 -0.206717038 -0.000001859
-2: 2 6.400 0.000189678 -0.212964826 -0.212966944 0.000002118
+2: 2 6.000 0.000352629 -0.182070066 -0.182070669 0.000000603
+2: 2 6.200 0.000259921 -0.206718897 -0.206717039 -0.000001859
+2: 2 6.400 0.000189678 -0.212964826 -0.212966945 0.000002119
2: 2 6.600 0.000137039 -0.206427971 -0.206427295 -0.000000676
-2: 2 6.800 0.000098022 -0.195576084 -0.195575021 -0.000001063
-2: 2 7.000 0.000069415 -0.184792808 -0.184794315 0.000001508
+2: 2 6.800 0.000098022 -0.195576084 -0.195575020 -0.000001064
+2: 2 7.000 0.000069415 -0.184792808 -0.184794315 0.000001507
2: 2 7.200 0.000048666 -0.176119925 -0.176118834 -0.000001092
2: 2 7.400 0.000033779 -0.169045503 -0.169046254 0.000000751
-2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001102
-2: 2 7.800 0.000015792 -0.151793526 -0.151794847 0.000001322
+2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001101
+2: 2 7.800 0.000015792 -0.151793526 -0.151794848 0.000001322
2: 2 8.000 0.000010636 -0.138751509 -0.138752581 0.000001072
2: 2 8.200 0.000007092 -0.123406831 -0.123402998 -0.000003833
2: 2 8.400 0.000004681 -0.107833248 -0.107835424 0.000002176
2: 2 8.600 0.000003059 -0.093844217 -0.093845341 0.000001124
-2: 2 8.800 0.000001979 -0.082118108 -0.082117785 -0.000000323
+2: 2 8.800 0.000001979 -0.082118108 -0.082117784 -0.000000324
2: 2 9.000 0.000001268 -0.072533230 -0.072536399 0.000003169
-2: 2 9.200 0.000000804 -0.064613896 -0.064617440 0.000003544
+2: 2 9.200 0.000000804 -0.064613896 -0.064617441 0.000003544
2: 2 9.400 0.000000504 -0.057796389 -0.057800206 0.000003817
-2: 2 9.600 0.000000313 -0.051913010 -0.051915901 0.000002891
-2: 2 9.800 0.000000193 -0.046631823 -0.046634643 0.000002820
-2: 2 10.000 0.000000117 -0.041859516 -0.041862071 0.000002554
-2: 2 10.200 0.000000071 -0.037586671 -0.037588902 0.000002231
-2: 2 10.400 0.000000042 -0.033684342 -0.033686314 0.000001972
-2: 2 10.600 0.000000025 -0.030139120 -0.030140869 0.000001749
-2: 2 10.800 0.000000015 -0.026918806 -0.026920326 0.000001520
-2: 2 11.000 0.000000008 -0.023998661 -0.023999989 0.000001328
-2: 2 11.200 0.000000005 -0.021355613 -0.021356851 0.000001238
-2: 2 11.400 0.000000003 -0.018968230 -0.018969178 0.000000948
-2: 2 11.600 0.000000002 -0.016816386 -0.016817153 0.000000767
-2: avgDiffVxc, maxDiffVxc = 0.000088779 0.000835202
-7/9 Test #2: libgridxc_test2 .................. Passed 12.51 sec
+2: 2 9.600 0.000000313 -0.051913010 -0.051915902 0.000002892
+2: 2 9.800 0.000000193 -0.046631823 -0.046634642 0.000002819
+2: 2 10.000 0.000000117 -0.041859516 -0.041862068 0.000002552
+2: 2 10.200 0.000000071 -0.037586671 -0.037588902 0.000002232
+2: 2 10.400 0.000000042 -0.033684342 -0.033686317 0.000001975
+2: 2 10.600 0.000000025 -0.030139120 -0.030140870 0.000001750
+2: 2 10.800 0.000000015 -0.026918806 -0.026920314 0.000001508
+2: 2 11.000 0.000000008 -0.023998661 -0.023999996 0.000001335
+2: 2 11.200 0.000000005 -0.021355613 -0.021356820 0.000001207
+2: 2 11.400 0.000000003 -0.018968230 -0.018969139 0.000000910
+2: 2 11.600 0.000000002 -0.016816386 -0.016817208 0.000000822
+2: avgDiffVxc, maxDiffVxc = 0.000088774 0.000835110
+7/9 Test #2: libgridxc_test2 .................. Passed 5.60 sec
4:
4: funcs= VDW
4: auths= BH
@@ -9604,8 +9673,8 @@
4: atomEc, cellEc, diff = -0.679499275 -0.679753307 0.000254032
4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835
4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356
-4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291
-8/9 Test #4: libgridxc_test4 .................. Passed 12.84 sec
+4: avgDiffVxc, maxDiffVxc = 0.000006163 0.038047291
+8/9 Test #4: libgridxc_test4 .................. Passed 6.22 sec
3: xc stress * volume =
3: -4.405894836 -0.011039400 0.003122993
3: -0.011039400 -4.442866097 0.004079677
@@ -9618,17 +9687,17 @@
3: 0.000022309 -0.000006705 0.000059142
3: -0.000006705 0.000002015 -0.000017774
3: 0.000059142 -0.000017774 0.000156789
-9/9 Test #3: libgridxc_test3 .................. Passed 21.58 sec
+9/9 Test #3: libgridxc_test3 .................. Passed 8.34 sec
100% tests passed, 0 tests failed out of 9
-Total Test time (real) = 21.59 sec
+Total Test time (real) = 8.34 sec
make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
create-stamp debian/debhelper-build-stamp
dh_testroot -O--buildsystem=cmake
dh_prep -O--buildsystem=cmake
dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake
- cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
+ cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
/usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu//CMakeFiles/progress.marks
@@ -9644,85 +9713,85 @@
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
[ 64%] Built target libgridxc-lib
make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend
-make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color="
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend
-make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend
+make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color="
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color="
-make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color="
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'.
+cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color="
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'.
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build
+make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'.
+make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build
+make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build
+make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'.
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build
+make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'.
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'.
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'.
+make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'.
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'.
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'.
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-[ 68%] Built target libgridxc-test3
-[ 72%] Built target libgridxc-test1
-make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'.
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-[ 76%] Built target libgridxc-test2
-make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend
-[ 80%] Built target libgridxc-test6
-[ 84%] Built target libgridxc-test4
-make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color="
-[ 88%] Built target libgridxc-test_libxc2
-[ 92%] Built target libgridxc-test_libxc
-[ 96%] Built target libgridxc-test_match
-make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
-make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build
make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'.
make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
+[ 68%] Built target libgridxc-test6
+[ 72%] Built target libgridxc-test2
+[ 76%] Built target libgridxc-test_libxc
+[ 96%] Built target libgridxc-test3
+[ 96%] Built target libgridxc-test1
+[ 96%] Built target libgridxc-test_libxc2
+[ 96%] Built target libgridxc-test_match
+[ 96%] Built target libgridxc-test4
[100%] Built target libgridxc-test_hse06
make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
/usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu/CMakeFiles 0
@@ -9740,40 +9809,40 @@
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod
--- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod
+-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod
-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING
make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-x86_64-linux-gnu'
dh_installdocs -O--buildsystem=cmake
@@ -9803,12 +9872,14 @@
dpkg-buildpackage: info: binary-only upload (no source included)
dpkg-genchanges: info: including full source code in upload
I: copying local configuration
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/1964565/tmp/hooks/B01_cleanup finished
I: unmounting dev/ptmx filesystem
I: unmounting dev/pts filesystem
I: unmounting dev/shm filesystem
I: unmounting proc filesystem
I: unmounting sys filesystem
I: cleaning the build env
-I: removing directory /srv/workspace/pbuilder/2896939 and its subdirectories
-I: Current time: Mon Mar 10 12:57:44 -12 2025
-I: pbuilder-time-stamp: 1741654664
+I: removing directory /srv/workspace/pbuilder/1964565 and its subdirectories
+I: Current time: Mon Apr 13 21:21:51 +14 2026
+I: pbuilder-time-stamp: 1776064911