Diff of the two buildlogs: -- --- b1/build.log 2025-02-27 08:27:47.806333248 +0000 +++ b2/build.log 2025-02-27 08:29:48.336914152 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Wed Apr 1 02:49:17 -12 2026 -I: pbuilder-time-stamp: 1775054957 +I: Current time: Thu Feb 27 22:27:50 +14 2025 +I: pbuilder-time-stamp: 1740644870 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -22,51 +22,83 @@ dpkg-source: info: unpacking libgridxc_2.0.2-1.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/605327/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1933884/tmp/hooks/D01_modify_environment starting +debug: Running on infom01-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 Feb 27 08:27 /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/1933884/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1933884/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' + 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=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='8610c58c0fb34f5d889c694bd4bd9892' - 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='605327' - PS1='# ' - PS2='> ' + INVOCATION_ID=f4768580457342eabc7eb3f7e5e94d43 + 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=1933884 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.HsW2THGG/pbuilderrc_faZx --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.HsW2THGG/b1 --logfile b1/build.log libgridxc_2.0.2-1.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' + 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.HsW2THGG/pbuilderrc_fDTF --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.HsW2THGG/b2 --logfile b2/build.log libgridxc_2.0.2-1.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' I: uname -a - Linux infom02-amd64 6.12.9+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.9-1~bpo12+1 (2025-01-19) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-31-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/605327/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1933884/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -182,7 +214,7 @@ Get: 70 http://deb.debian.org/debian trixie/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 71 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 72 http://deb.debian.org/debian trixie/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB] -Fetched 65.9 MB in 1s (45.5 MB/s) +Fetched 65.9 MB in 2s (28.4 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 ... 19801 files and directories currently installed.) @@ -492,7 +524,11 @@ 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-2.0.2/ && 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_2.0.2-1_source.changes +I: user script /srv/workspace/pbuilder/1933884/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/1933884/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/libgridxc-2.0.2/ && 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_2.0.2-1_source.changes dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.0.2-1 dpkg-buildpackage: info: source distribution unstable @@ -549,7 +585,7 @@ -- Searching for libXC library - found -- Configuring docs -- Configuring libgridxc tests... --- Configuring done (0.7s) +-- Configuring done (0.3s) -- Generating done (0.0s) CMake Warning: Manually-specified variables were not used by the project: @@ -577,68 +613,68 @@ make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' -[ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +[ 7%] Building Fortran object 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-I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ldaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o +[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +/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 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 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/cellsubs.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o.provides.build [ 31%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/minvec.F90 -o CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o +/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_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU +/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/am05.F90.o.provides.build +/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 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/minvec.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/interpolation.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-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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_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_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-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 @@ -647,16 +683,16 @@ /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o.provides.build [ 37%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.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-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 +[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o -[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o +[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.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 touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build +[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.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 [ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o @@ -671,18 +707,18 @@ /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_dp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_dp.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_sp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_sp.mod.stamp GNU /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/fft3d.F90.o -[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fft3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_fft3d.mod.stamp GNU +[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o.provides.build -[ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 +[ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/vv_vdwxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fft3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_fft3d.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o.provides.build +[ 52%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/fftr.F90 -o CMakeFiles/libgridxc-lib.dir/src/fftr.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 @@ -695,10 +731,10 @@ /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 -[ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o -[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +[ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/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 /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cell.mod CMakeFiles/libgridxc-lib.dir/gridxc_cell.mod.stamp GNU @@ -706,9 +742,9 @@ [ 62%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc.mod CMakeFiles/libgridxc-lib.dir/gridxc.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build [ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -P CMakeFiles/libgridxc-lib.dir/cmake_clean_target.cmake -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-lib.dir/link.txt --verbose=1 /usr/bin/ar qc libgridxc.a 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/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake 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/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory 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/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.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-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers 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Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Scanning dependencies of target libgridxc-test_match Scanning dependencies of target libgridxc-test3 +Scanning dependencies of target libgridxc-test_match +Scanning dependencies of target libgridxc-test4 Scanning dependencies of target libgridxc-test_libxc2 -Scanning dependencies of target libgridxc-test_libxc -Scanning dependencies of target libgridxc-test2 Scanning dependencies of target libgridxc-test1 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -Scanning dependencies of target libgridxc-test4 Scanning dependencies of target libgridxc-test6 +Scanning dependencies of target libgridxc-test_libxc +Scanning dependencies of target libgridxc-test2 Scanning dependencies of target libgridxc-test_hse06 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.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-2.0.2/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/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-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -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-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o -[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o -[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -[ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/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 +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o +[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o -[ 84%] Linking Fortran executable libgridxc-test_hse06 -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 -[ 86%] Linking Fortran executable libgridxc-test_match +[ 84%] Linking Fortran executable libgridxc-test2 +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 +[ 88%] Linking Fortran executable libgridxc-test6 +[ 88%] Linking Fortran executable libgridxc-test_match +[ 90%] Linking Fortran executable libgridxc-test_hse06 +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 -[ 88%] Linking Fortran executable libgridxc-test_libxc -[ 90%] Linking Fortran executable libgridxc-test_libxc2 -cd /build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 +[ 92%] Linking Fortran executable libgridxc-test_libxc2 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 -[ 92%] Linking Fortran executable libgridxc-test2 -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 -/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-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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 +[ 94%] Linking Fortran executable libgridxc-test_libxc +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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-2.0.2/obj-x86_64-linux-gnu' -[ 92%] Built target libgridxc-test_hse06 /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-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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-2.0.2/obj-x86_64-linux-gnu' -[ 92%] 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-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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-2.0.2/obj-x86_64-linux-gnu' /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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 -[ 92%] Built target libgridxc-test_libxc2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 94%] Linking Fortran executable libgridxc-test6 -cd /build/reproducible-path/libgridxc-2.0.2/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-test2 +/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-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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-2.0.2/obj-x86_64-linux-gnu' +[ 94%] Built target libgridxc-test_libxc2 +[ 94%] Built target libgridxc-test_hse06 +[ 94%] Built target libgridxc-test6 +[ 94%] Built target libgridxc-test2 [ 94%] Built target libgridxc-test_libxc -[ 96%] Linking Fortran executable libgridxc-test4 +[ 94%] Built target libgridxc-test_match +[ 96%] Linking Fortran executable libgridxc-test1 +cd /build/reproducible-path/libgridxc-2.0.2/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 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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 +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test1.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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-2.0.2/obj-x86_64-linux-gnu' -[ 96%] Built target libgridxc-test6 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test4.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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-2.0.2/obj-x86_64-linux-gnu' -[ 96%] Built target libgridxc-test4 -[ 98%] Linking Fortran executable libgridxc-test1 -cd /build/reproducible-path/libgridxc-2.0.2/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-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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-2.0.2/obj-x86_64-linux-gnu' +[ 98%] Built target libgridxc-test4 +[ 98%] Built target libgridxc-test1 [100%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 -[100%] Built target libgridxc-test1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test3.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -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 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [100%] Built target libgridxc-test3 @@ -1782,96 +1818,30 @@ 6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000000 6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 -6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000002 -6: 1 6.200 0.000389881 -0.207630641 -0.207630643 0.000000002 -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 -0.173510693 0.000000002 -6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 -6: 1 7.200 0.000072999 -0.152957536 -0.152957539 0.000000003 -6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000005 -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 -0.105308040 0.000000007 -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 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 -6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 -6: 1 9.600 0.000000470 -0.034645149 -0.034645055 -0.000000094 -6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000089 -8: Ex, Ec: -4.3915197423832746 -0.63516421031255010 -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 -8: -0.61802 -0.58545 -0.55282 -0.52008 -0.48700 -0.45324 -8: -0.41844 -0.38252 -0.34600 -0.31022 -0.27707 -0.24843 -8: -0.22532 -0.20763 -0.19419 -0.18334 -0.17351 -0.16357 -8: -0.15296 -0.14156 -0.12960 -0.11739 -0.10531 -0.09365 -8: -0.08265 -0.07245 -0.06313 -0.05471 -0.04719 -0.04052 -8: -0.03465 -0.02951 -0.02503 -0.02116 -0.01782 -0.01496 -8: -0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 -8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 -8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00036 -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 -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 -0.00036 -0.92037 -8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 -8: -0.85662 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 -8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 -8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 -8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 -8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 -8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 -8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 -8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 -8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 -8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 -8: -0.00078 -0.00062 -0.00049 -0.00039 -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 -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 -0.00036 -0.00036 -8: -0.00036 -0.00036 -0.00036 -0.00036 -8: Ex, Ec: -4.3915185633273719 -0.63516344579004458 -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 -8: -0.61802 -0.58545 -0.55282 -0.52008 -0.48700 -0.45324 -8: -0.41844 -0.38252 -0.34600 -0.31022 -0.27707 -0.24843 -8: -0.22532 -0.20763 -0.19419 -0.18334 -0.17351 -0.16357 -8: -0.15296 -0.14156 -0.12960 -0.11739 -0.10531 -0.09365 -8: -0.08265 -0.07245 -0.06313 -0.05471 -0.04719 -0.04052 -8: -0.03465 -0.02951 -0.02503 -0.02116 -0.01782 -0.01496 -8: -0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 -8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 -8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00035 -8: -0.00027 -0.00021 -0.00017 -0.00013 -0.00010 -0.00008 -8: -0.00006 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 0.00000 0.00000 -8: 0.00000 0.00000 0.00000 0.00000 0.00000 -0.92037 -8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 -8: -0.85661 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 -8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 -8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 -8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 -8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 -8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 -8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 -8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 -8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 -8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 -8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00030 -0.00024 -8: -0.00019 -0.00014 -0.00011 -0.00009 -0.00007 -0.00005 -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 0.00000 0.00000 -8: 0.00000 0.00000 0.00000 0.00000 +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 -0.982775688 -0.000000589 +7: 1 0.400 0.046677283 -0.990388812 -0.990388870 0.000000058 +7: 1 0.600 0.045524817 -0.975266071 -0.975266039 -0.000000032 +7: 1 0.800 0.043959010 -0.975102121 -0.975102127 0.000000006 +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 1.600 0.034579382 -0.899005838 -0.899005838 -0.000000001 +7: 1 1.800 0.031761587 -0.874045663 -0.874045666 0.000000003 +7: 1 2.000 0.028883127 -0.847548881 -0.847548880 -0.000000001 +7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 +7: 1 2.400 0.023179251 -0.789580695 -0.789580695 0.000000000 +7: 1 2.600 0.020455616 -0.758088403 -0.758088406 0.000000003 +7: 1 2.800 0.017872394 -0.725194479 -0.725194480 0.000000001 +7: 1 3.000 0.015460016 -0.691188323 -0.691188326 0.000000004 +7: 1 3.200 0.013240188 -0.656330566 -0.656330561 -0.000000005 +7: 1 3.400 0.011226266 -0.620864165 -0.620864164 -0.000000001 +7: 1 3.600 0.009423960 -0.585034090 -0.585034093 0.000000003 +7: 1 3.800 0.007832284 -0.549094197 -0.549094197 -0.000000000 +7: 1 4.000 0.006444664 -0.513309680 -0.513309680 -0.000000000 +7: 1 4.200 0.005250115 -0.477958213 -0.477958214 0.000000001 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 @@ -2276,6 +2246,122 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.690869749 -0.645015164 0.045854585 2 1: GGA PBEJsJrHEG 0 3 Ex -0.047985392 -0.008216114 0.039769278 2 1: GGA PBEJsJrHEG 0 4 Ex -0.119570488 -0.159113221 0.039542733 2 +6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000002 +6: 1 6.200 0.000389881 -0.207630641 -0.207630643 0.000000002 +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 -0.173510693 0.000000002 +6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 +6: 1 7.200 0.000072999 -0.152957536 -0.152957539 0.000000003 +6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000005 +8: Ex, Ec: -4.3915197423832746 -0.63516421031255010 +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 +8: -0.61802 -0.58545 -0.55282 -0.52008 -0.48700 -0.45324 +8: -0.41844 -0.38252 -0.34600 -0.31022 -0.27707 -0.24843 +8: -0.22532 -0.20763 -0.19419 -0.18334 -0.17351 -0.16357 +8: -0.15296 -0.14156 -0.12960 -0.11739 -0.10531 -0.09365 +8: -0.08265 -0.07245 -0.06313 -0.05471 -0.04719 -0.04052 +8: -0.03465 -0.02951 -0.02503 -0.02116 -0.01782 -0.01496 +8: -0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 +8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 +8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00036 +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 -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 -0.00036 -0.92037 +8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 +8: -0.85662 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 +8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 +8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 +8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 +8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 +8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 +8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 +8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 +8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 +8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 +8: -0.00078 -0.00062 -0.00049 -0.00039 -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 -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 -0.00036 -0.00036 +8: -0.00036 -0.00036 -0.00036 -0.00036 +8: Ex, Ec: -4.3915185633273719 -0.63516344579004458 +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 +8: -0.61802 -0.58545 -0.55282 -0.52008 -0.48700 -0.45324 +8: -0.41844 -0.38252 -0.34600 -0.31022 -0.27707 -0.24843 +8: -0.22532 -0.20763 -0.19419 -0.18334 -0.17351 -0.16357 +8: -0.15296 -0.14156 -0.12960 -0.11739 -0.10531 -0.09365 +8: -0.08265 -0.07245 -0.06313 -0.05471 -0.04719 -0.04052 +8: -0.03465 -0.02951 -0.02503 -0.02116 -0.01782 -0.01496 +8: -0.01251 -0.01042 -0.00866 -0.00716 -0.00591 -0.00486 +8: -0.00398 -0.00325 -0.00264 -0.00214 -0.00173 -0.00139 +8: -0.00111 -0.00089 -0.00071 -0.00056 -0.00044 -0.00035 +8: -0.00027 -0.00021 -0.00017 -0.00013 -0.00010 -0.00008 +8: -0.00006 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 0.00000 0.00000 +8: 0.00000 0.00000 0.00000 0.00000 0.00000 -0.92037 +8: -0.91931 -0.91613 -0.90854 -0.89988 -0.88741 -0.87337 +8: -0.85661 -0.83789 -0.81715 -0.79463 -0.77050 -0.74495 +8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 +8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 +8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 +8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 +8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 +8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 +8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 +8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 +8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 +8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00030 -0.00024 +8: -0.00019 -0.00014 -0.00011 -0.00009 -0.00007 -0.00005 +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 0.00000 0.00000 +8: 0.00000 0.00000 0.00000 0.00000 +9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 +9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 +9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 +9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 +9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 +9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 +9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 +9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 +9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 +9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 +9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 +9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 +9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 +9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 +9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 +9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 +9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 +9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 +9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 +9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 +9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 +9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 +9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 +9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 +9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 +9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 +1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec +2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA PBEGcGxLO 0 1 Ex -0.605405491 -0.665104568 0.059699077 2 1: GGA PBEGcGxLO 0 2 Ex -0.670457583 -0.610758475 0.059699107 2 1: GGA PBEGcGxLO 0 3 Ex -0.025380769 0.026256150 0.051636920 2 @@ -2517,6 +2603,18 @@ 1: GGA PBEGcGxHEG 0 1 Ex -1.104159714 -1.119460300 0.015300586 2 1: GGA PBEGcGxHEG 0 2 Ex -1.313556683 -1.298256102 0.015300581 2 1: GGA PBEGcGxHEG 0 3 Ex 0.154303783 0.162034849 0.007731066 2 +6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 +6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 +7: 1 4.400 0.004234421 -0.443329016 -0.443329013 -0.000000003 +7: 1 4.600 0.003381238 -0.409718658 -0.409718659 0.000000001 +7: 1 4.800 0.002673091 -0.377422521 -0.377422522 0.000000001 +7: 1 5.000 0.002092223 -0.346721404 -0.346721404 0.000000000 +7: 1 5.200 0.001621280 -0.317864014 -0.317864014 -0.000000000 +7: 1 5.400 0.001243837 -0.291048148 -0.291048147 -0.000000002 +7: 1 5.600 0.000944766 -0.266406479 -0.266406480 0.000000001 +7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000000 +7: 1 6.000 0.000528944 -0.223883655 -0.223883655 0.000000000 +7: 1 6.200 0.000389881 -0.206110012 -0.206110013 0.000000001 1: GGA PBEGcGxHEG 0 4 Ex 0.118309982 0.121767117 0.003457135 2 1: GGA PBESOL 0 1 Ex -1.213035425 -1.228514168 0.015478744 2 1: GGA PBESOL 0 2 Ex -1.352032263 -1.336553524 0.015478739 2 @@ -2541,6 +2639,7 @@ 1: GGA C09 0 1 Ex -1.442453933 -1.454415454 0.011961521 2 1: GGA C09 0 2 Ex -1.436978779 -1.425017263 0.011961516 2 1: GGA C09 0 3 Ex -0.004034619 0.002104613 0.006139232 2 +6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 1: GGA C09 0 4 Ex -0.003093480 -0.000515129 0.002578351 2 1: GGA BH 0 1 Ex -1.250848256 -1.256562835 0.005714579 2 1: GGA BH 0 2 Ex -1.368184028 -1.362469454 0.005714573 2 @@ -2555,6 +2654,7 @@ 1: GGA PW91 0 1 Ex -1.138943606 -0.977528634 0.161414972 2 1: GGA PW91 0 2 Ex -1.259790047 -1.421205063 0.161415016 2 1: GGA PW91 0 3 Ex 0.000621642 -0.053632170 0.054253812 2 +7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000001 1: GGA PW91 0 4 Ex 0.036068239 -0.233406669 0.269474907 2 1: GGA PBE 0 1 Ex -1.117998146 -0.941670922 0.176327224 2 1: GGA PBE 0 2 Ex -1.168846678 -1.345173945 0.176327267 2 @@ -2570,6 +2670,7 @@ 1: GGA revPBE 0 4 Ex 0.019515835 -0.370649939 0.390165774 2 1: GGA LYP 0 1 Ex -1.094561189 -0.843550934 0.251010255 2 1: GGA LYP 0 1 Ec -0.059147951 -0.044089283 0.015058667 2 +6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 1: GGA LYP 0 2 Ex -0.847257686 -1.098267942 0.251010255 2 1: GGA LYP 0 2 Ec -0.162766580 -0.177825248 0.015058667 2 1: GGA LYP 0 3 Ex -0.001272146 -0.352573484 0.351301338 2 @@ -2581,6 +2682,7 @@ 1: GGA WC 0 3 Ex -0.000383625 -0.131360471 0.130976846 2 1: GGA WC 0 4 Ex -0.022258267 -0.261425085 0.239166818 2 1: GGA PBEJsJrLO 0 1 Ex -1.118056459 -0.962617716 0.155438744 2 +7: 1 6.600 0.000205559 -0.178797194 -0.178797196 0.000000002 1: GGA PBEJsJrLO 0 2 Ex -1.074940585 -1.230379370 0.155438784 2 1: GGA PBEJsJrLO 0 3 Ex -0.000221791 -0.117983788 0.117761997 2 1: GGA PBEJsJrLO 0 4 Ex -0.012868510 -0.271237182 0.258368672 2 @@ -2593,10 +2695,12 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.000498462 -0.131488174 0.130989712 2 1: GGA PBEGcGxLO 0 4 Ex -0.028921200 -0.267344626 0.238423425 2 1: GGA PBEGcGxHEG 0 1 Ex -1.147141786 -1.033640806 0.113500979 2 +6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 1: GGA PBEGcGxHEG 0 2 Ex -1.057609337 -1.171110355 0.113501018 2 1: GGA PBEGcGxHEG 0 3 Ex -0.000460561 -0.072496116 0.072035555 2 1: GGA PBEGcGxHEG 0 4 Ex -0.026722158 -0.215622807 0.188900648 2 1: GGA PBESOL 0 1 Ex -1.122555666 -0.978886686 0.143668980 2 +7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 1: GGA PBESOL 0 2 Ex -1.025655339 -1.169324359 0.143669020 2 1: GGA PBESOL 0 3 Ex -0.000498462 -0.131488174 0.130989712 2 1: GGA PBESOL 0 4 Ex -0.028921200 -0.267344626 0.238423425 2 @@ -2617,109 +2721,15 @@ 1: GGA B88 0 3 Ex -0.001269786 -0.352479875 0.351210090 2 1: GGA B88 0 4 Ex -0.073674074 -0.487946773 0.414272699 2 1: GGA C09 0 1 Ex -1.089344687 -0.891770013 0.197574673 2 -9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 -9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 -9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 -9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 -9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 -9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 -9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 -9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 -9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 -9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 -9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 -9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 -9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 -9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 -9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 -9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 -9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 -9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 -9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 -9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 -9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 -9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 -9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 -9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 -9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 -9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -9: 0.00000 0.00000 0.00000 0.00000 0.00000 -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 -0.982775688 -0.000000589 -7: 1 0.400 0.046677283 -0.990388812 -0.990388870 0.000000058 -7: 1 0.600 0.045524817 -0.975266071 -0.975266039 -0.000000032 -7: 1 0.800 0.043959010 -0.975102121 -0.975102127 0.000000006 -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 1.600 0.034579382 -0.899005838 -0.899005838 -0.000000001 -7: 1 1.800 0.031761587 -0.874045663 -0.874045666 0.000000003 -7: 1 2.000 0.028883127 -0.847548881 -0.847548880 -0.000000001 -7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 -7: 1 2.400 0.023179251 -0.789580695 -0.789580695 0.000000000 -7: 1 2.600 0.020455616 -0.758088403 -0.758088406 0.000000003 -7: 1 2.800 0.017872394 -0.725194479 -0.725194480 0.000000001 -7: 1 3.000 0.015460016 -0.691188323 -0.691188326 0.000000004 -7: 1 3.200 0.013240188 -0.656330566 -0.656330561 -0.000000005 -7: 1 3.400 0.011226266 -0.620864165 -0.620864164 -0.000000001 -7: 1 3.600 0.009423960 -0.585034090 -0.585034093 0.000000003 -7: 1 3.800 0.007832284 -0.549094197 -0.549094197 -0.000000000 -7: 1 4.000 0.006444664 -0.513309680 -0.513309680 -0.000000000 -7: 1 4.200 0.005250115 -0.477958213 -0.477958214 0.000000001 -7: 1 4.400 0.004234421 -0.443329016 -0.443329013 -0.000000003 -7: 1 4.600 0.003381238 -0.409718658 -0.409718659 0.000000001 -7: 1 4.800 0.002673091 -0.377422521 -0.377422522 0.000000001 -7: 1 5.000 0.002092223 -0.346721404 -0.346721404 0.000000000 -7: 1 5.200 0.001621280 -0.317864014 -0.317864014 -0.000000000 -7: 1 5.400 0.001243837 -0.291048148 -0.291048147 -0.000000002 -7: 1 5.600 0.000944766 -0.266406479 -0.266406480 0.000000001 -7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000000 -7: 1 6.000 0.000528944 -0.223883655 -0.223883655 0.000000000 -7: 1 6.200 0.000389881 -0.206110012 -0.206110013 0.000000001 -7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000001 -7: 1 6.600 0.000205559 -0.178797194 -0.178797196 0.000000002 -7: 1 6.800 0.000147033 -0.170379794 -0.170379797 0.000000004 -7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000009 -7: 1 7.200 0.000072999 -0.163810071 -0.163810084 0.000000013 -7: 1 7.400 0.000050669 -0.160866313 -0.160866325 0.000000012 -7: 1 7.600 0.000034818 -0.153027998 -0.153027990 -0.000000007 -7: 1 7.800 0.000023687 -0.138670726 -0.138670683 -0.000000044 -7: 1 8.000 0.000015954 -0.119748941 -0.119748847 -0.000000094 -7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 -7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 -7: 1 8.600 0.000004589 -0.068350286 -0.068350135 -0.000000151 -7: 1 8.800 0.000002969 -0.057583471 -0.057583442 -0.000000030 -7: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 -7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 -7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 -7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 -7: 1 9.800 0.000000289 -0.031858263 -0.031860487 0.000002224 -7: 1 10.000 0.000000176 -0.029267821 -0.029269964 0.000002144 -7: 1 10.200 0.000000106 -0.027039672 -0.027041720 0.000002048 -7: 1 10.400 0.000000063 -0.025092806 -0.025094748 0.000001941 -7: 1 10.600 0.000000037 -0.023372816 -0.023374647 0.000001831 -7: 1 10.800 0.000000022 -0.021841709 -0.021843441 0.000001732 -7: 1 11.000 0.000000013 -0.020471625 -0.020473264 0.000001639 -1/9 Test #8: libgridxc_test_match ............. Passed 0.04 sec -2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.03 sec 1: GGA C09 0 2 Ex -0.755809559 -0.953384272 0.197574714 2 1: GGA C09 0 3 Ex -0.001715728 -0.346015960 0.344300232 2 1: GGA C09 0 4 Ex -0.099548026 -0.424600377 0.325052351 2 1: GGA BH 0 1 Ex -1.094370914 -0.930134177 0.164236737 2 +6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013 1: GGA BH 0 2 Ex -1.072760524 -1.236997302 0.164236778 2 1: GGA BH 0 3 Ex -0.000111165 -0.178266227 0.178155062 2 1: GGA BH 0 4 Ex -0.006449910 -0.278516511 0.272066601 2 +7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000009 1: 1: iSpin dens gradDens 1: 1 0.306353880 -0.680511824 -1.603721249 -1.510109275 @@ -2751,6 +2761,8 @@ 1: GGA LYP 0 4 Ex 0.022834882 0.251919236 0.229084354 2 1: GGA LYP 0 4 Ec -0.030116819 0.122490542 0.152607362 2 1: GGA WC 0 1 Ex -0.819366093 -0.655807864 0.163558229 2 +6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 +7: 1 7.200 0.000072999 -0.163810071 -0.163810084 0.000000013 1: GGA WC 0 2 Ex -0.795178791 -0.958737024 0.163558234 2 1: GGA WC 0 3 Ex -0.015882968 -0.091141628 0.075258659 2 1: GGA WC 0 4 Ex 0.004244636 0.188638631 0.184393995 2 @@ -2769,6 +2781,8 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.801787655 -0.660983547 0.140804108 2 1: GGA PBEGcGxHEG 0 2 Ex -0.754551580 -0.895355692 0.140804113 2 1: GGA PBEGcGxHEG 0 3 Ex -0.031018303 -0.094310085 0.063291782 2 +7: 1 7.400 0.000050669 -0.160866313 -0.160866325 0.000000012 +6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 1: GGA PBEGcGxHEG 0 4 Ex 0.008289471 0.172632066 0.164342595 2 1: GGA PBESOL 0 1 Ex -0.785803102 -0.622496001 0.163307101 2 1: GGA PBESOL 0 2 Ex -0.742105206 -0.905412311 0.163307105 2 @@ -2796,8 +2810,10 @@ 1: GGA C09 0 4 Ex 0.025389203 0.165646036 0.140256833 2 1: GGA BH 0 1 Ex -0.772481092 -0.595843381 0.176637711 2 1: GGA BH 0 2 Ex -0.762743968 -0.939381683 0.176637716 2 +7: 1 7.600 0.000034818 -0.153027998 -0.153027990 -0.000000007 1: GGA BH 0 3 Ex -0.006394034 -0.090517107 0.084123072 2 1: GGA BH 0 4 Ex 0.001708771 0.190198649 0.188489879 2 +6: 1 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 1: 1: iSpin dens gradDens 1: 1 0.112631681 -0.579288333 0.260381194 -0.058482778 @@ -2819,6 +2835,7 @@ 1: GGA revPBE 0 1 Ex -0.554595369 -0.533045479 0.021549890 2 1: GGA revPBE 0 2 Ex -0.530145453 -0.551695310 0.021549856 2 1: GGA revPBE 0 3 Ex 0.017581284 0.079481117 0.061899833 2 +7: 1 7.800 0.000023687 -0.138670726 -0.138670683 -0.000000044 1: GGA revPBE 0 4 Ex 0.004777192 -0.167883204 0.172660396 2 1: GGA LYP 0 1 Ex -0.617923606 -0.571629895 0.046293712 2 1: GGA LYP 0 1 Ec -0.272605267 -0.294517084 0.021911817 2 @@ -2828,6 +2845,7 @@ 1: GGA LYP 0 3 Ec -0.161469695 -0.152758578 0.008711117 2 1: GGA LYP 0 4 Ex -0.014447304 -0.222232108 0.207784804 2 1: GGA LYP 0 4 Ec -0.043874600 -0.132006626 0.088132026 2 +6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 1: GGA WC 0 1 Ex -0.570799523 -0.557798278 0.013001244 2 1: GGA WC 0 2 Ex -0.461631581 -0.474632793 0.013001212 2 1: GGA WC 0 3 Ex 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-0.730514503 0.024080711 2 +7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 1: GGA PW86 0 3 Ex -0.058873948 0.003679289 0.062553238 2 1: GGA PW86 0 4 Ex -0.015997249 -0.184585809 0.168588560 2 1: GGA B88 0 1 Ex -0.617801132 -0.571510457 0.046290675 2 @@ -2872,6 +2893,7 @@ 1: GGA C09 0 2 Ex -0.537678381 -0.549219861 0.011541480 2 1: GGA C09 0 3 Ex 0.029959826 0.063114967 0.033155141 2 1: GGA C09 0 4 Ex 0.008140694 -0.084343617 0.092484311 2 +6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000089 1: GGA BH 0 1 Ex -0.620141409 -0.603407604 0.016733805 2 1: GGA BH 0 2 Ex -0.698768846 -0.715502618 0.016733772 2 1: GGA BH 0 3 Ex -0.056538900 -0.014992691 0.041546209 2 @@ -2892,6 +2914,7 @@ 1: GGA PBE 0 4 Ex 0.051960040 -0.020567792 0.072527832 2 1: GGA RPBE 0 1 Ex -0.942609276 -1.101803819 0.159194543 2 1: GGA RPBE 0 2 Ex -1.401682797 -1.242488246 0.159194552 2 +7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 1: GGA RPBE 0 3 Ex -0.120615180 -0.475655511 0.355040331 2 1: GGA RPBE 0 4 Ex 0.114459565 0.059573413 0.054886151 2 1: GGA revPBE 0 1 Ex -0.942160603 -1.064833100 0.122672496 2 @@ -2902,6 +2925,7 @@ 1: GGA LYP 0 1 Ec -0.091782714 -0.168404416 0.076621702 2 1: GGA LYP 0 2 Ex -0.816822957 -0.775831657 0.040991300 2 1: GGA LYP 0 2 Ec -0.265403074 -0.188781372 0.076621702 2 +6: 1 10.000 0.000000176 -0.025033604 -0.025033523 -0.000000080 1: GGA LYP 0 3 Ex 0.032132575 -0.285008947 0.317141522 2 1: GGA LYP 0 3 Ec -0.045616334 -0.105983664 0.060367330 2 1: GGA LYP 0 4 Ex -0.030492684 -0.282486231 0.251993547 2 @@ -2915,6 +2939,7 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.038040313 -0.269070397 0.231030084 2 1: GGA PBEJsJrLO 0 4 Ex 0.036098919 -0.039596891 0.075695811 2 1: GGA PBEJsJrHEG 0 1 Ex -1.004975610 -1.079256548 0.074280938 2 +7: 1 8.600 0.000004589 -0.068350286 -0.068350135 -0.000000151 1: GGA PBEJsJrHEG 0 2 Ex -1.085594611 -1.011313665 0.074280947 2 1: GGA PBEJsJrHEG 0 3 Ex -0.021181521 -0.209773412 0.188591891 2 1: GGA PBEJsJrHEG 0 4 Ex 0.020100518 -0.029671043 0.049771562 2 @@ -2925,6 +2950,7 @@ 1: GGA PBEGcGxHEG 0 1 Ex -1.000377930 -1.065751121 0.065373192 2 1: GGA PBEGcGxHEG 0 2 Ex -1.059225890 -0.993852689 0.065373200 2 1: GGA PBEGcGxHEG 0 3 Ex -0.015461483 -0.188217880 0.172756397 2 +6: 1 10.200 0.000000106 -0.021160723 -0.021160649 -0.000000074 1: GGA PBEGcGxHEG 0 4 Ex 0.014672403 -0.036275595 0.050947999 2 1: GGA PBESOL 0 1 Ex -0.978470289 -1.048338511 0.069868223 2 1: GGA PBESOL 0 2 Ex -1.079901972 -1.010033741 0.069868231 2 @@ -2936,6 +2962,7 @@ 1: GGA AM05 0 2 Ec -0.080607416 -0.082381924 0.001774508 2 1: GGA AM05 0 3 Ex 0.057487713 -0.097167850 0.154655563 2 1: GGA AM05 0 3 Ec -0.005040066 -0.001013127 0.004026939 2 +7: 1 8.800 0.000002969 -0.057583471 -0.057583442 -0.000000030 1: GGA AM05 0 4 Ex -0.054553818 -0.215717355 0.161163537 2 1: GGA AM05 0 4 Ec 0.004782845 0.005467761 0.000684916 2 1: GGA PW86 0 1 Ex -1.013177849 -1.093261644 0.080083795 2 @@ -2953,6 +2980,7 @@ 1: GGA BH 0 1 Ex -0.932248915 -0.999089711 0.066840796 2 1: GGA BH 0 2 Ex -1.070723247 -1.003882443 0.066840803 2 1: GGA BH 0 3 Ex -0.036382204 -0.280068139 0.243685935 2 +6: 1 10.400 0.000000063 -0.017822436 -0.017822368 -0.000000068 1: GGA BH 0 4 Ex 0.034525432 -0.088223550 0.122748982 2 1: 1: iSpin dens gradDens @@ -2963,6 +2991,7 @@ 1: GGA PW91 0 1 Ex -0.483114234 -0.442941560 0.040172673 2 1: GGA PW91 0 2 Ex -0.692433449 -0.732606123 0.040172674 2 1: GGA PW91 0 3 Ex 0.091389002 0.000235592 0.091153409 2 +7: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 1: GGA PW91 0 4 Ex -0.121236894 -0.155269123 0.034032230 2 1: GGA PBE 0 1 Ex -0.798029127 -0.749424913 0.048604215 2 1: GGA PBE 0 2 Ex -0.774622872 -0.823227085 0.048604213 2 @@ -2978,6 +3007,7 @@ 1: GGA revPBE 0 4 Ex 0.088563271 0.047796133 0.040767137 2 1: GGA LYP 0 1 Ex -0.686867779 -0.593918104 0.092949674 2 1: GGA LYP 0 1 Ec 0.006355412 0.011028181 0.004672770 2 +6: 1 10.600 0.000000037 -0.014957437 -0.014957383 -0.000000054 1: GGA LYP 0 2 Ex -0.737471023 -0.830420697 0.092949675 2 1: GGA LYP 0 2 Ec -0.028754371 -0.033427140 0.004672770 2 1: GGA LYP 0 3 Ex 0.022093432 -0.114857367 0.136950799 2 @@ -2988,6 +3018,7 @@ 1: GGA WC 0 2 Ex -0.795502091 -0.831768376 0.036266285 2 1: GGA WC 0 3 Ex -0.001928637 -0.075654844 0.073726207 2 1: GGA WC 0 4 Ex 0.002558535 -0.021709225 0.024267761 2 +7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 1: GGA PBEJsJrLO 0 1 Ex -0.792657045 -0.751847193 0.040809852 2 1: GGA PBEJsJrLO 0 2 Ex -0.771576194 -0.812386044 0.040809850 2 1: GGA PBEJsJrLO 0 3 Ex -0.009203923 -0.092181607 0.082977685 2 @@ -3002,9 +3033,11 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.009494313 -0.014732773 0.024227086 2 1: GGA PBEGcGxHEG 0 1 Ex -0.715115799 -0.684539640 0.030576159 2 1: GGA PBEGcGxHEG 0 2 Ex -0.768969150 -0.799545307 0.030576158 2 +6: 1 10.800 0.000000022 -0.012508831 -0.012508780 -0.000000052 1: GGA PBEGcGxHEG 0 3 Ex 0.023512433 -0.038734114 0.062246547 2 1: GGA PBEGcGxHEG 0 4 Ex -0.031191656 -0.051718080 0.020526424 2 1: GGA PBESOL 0 1 Ex -0.789970647 -0.753612881 0.036357766 2 +7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 1: GGA PBESOL 0 2 Ex -0.773578424 -0.809936188 0.036357764 2 1: GGA PBESOL 0 3 Ex -0.007156863 -0.080933874 0.073777011 2 1: GGA PBESOL 0 4 Ex 0.009494313 -0.014732773 0.024227086 2 @@ -3028,9 +3061,11 @@ 1: GGA C09 0 2 Ex -0.804095259 -0.840857344 0.036762085 2 1: GGA C09 0 3 Ex -0.065630101 -0.140466534 0.074836433 2 1: GGA C09 0 4 Ex 0.087065067 0.062388420 0.024676648 2 +6: 1 11.000 0.000000013 -0.010424505 -0.010424502 -0.000000003 1: GGA BH 0 1 Ex -0.789643655 -0.735566298 0.054077356 2 1: GGA BH 0 2 Ex -0.742256279 -0.796333632 0.054077352 2 1: GGA BH 0 3 Ex -0.020689381 -0.115848367 0.095158987 2 +7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 1: GGA BH 0 4 Ex 0.027446588 0.002398366 0.025048222 2 1: 1: iSpin dens gradDens @@ -3057,6 +3092,8 @@ 1: GGA LYP 0 1 Ex -0.939310263 -0.353007254 0.586303009 2 1: GGA LYP 0 1 Ec 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-0.094731747 0.089755296 2 1: GGA PBEGcGxLO 0 4 Ex -0.003194184 0.081768639 0.084962823 2 1: GGA PBEGcGxHEG 0 1 Ex -0.544495908 -0.497698120 0.046797788 2 1: GGA PBEGcGxHEG 0 2 Ex -0.557184824 -0.603982613 0.046797788 2 1: GGA PBEGcGxHEG 0 3 Ex 0.014921832 -0.037761055 0.052682887 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009577723 0.060656529 0.051078806 2 +6: 2 5.600 0.000629844 -0.256619554 -0.256619554 -0.000000000 1: GGA PBESOL 0 1 Ex -0.571090556 -0.488252411 0.082838145 2 1: GGA PBESOL 0 2 Ex -0.566858785 -0.649696930 0.082838145 2 1: GGA PBESOL 0 3 Ex -0.004976451 -0.094731747 0.089755296 2 @@ -3869,11 +3901,13 @@ 1: GGA PW86 0 3 Ex 0.018370760 -0.091127441 0.109498201 2 1: GGA PW86 0 4 Ex 0.011791451 0.075779636 0.063988185 2 1: GGA B88 0 1 Ex -0.416960685 -0.050133498 0.366827187 2 +7: 2 4.600 0.002254159 -0.381911080 -0.381911079 -0.000000000 1: GGA B88 0 2 Ex -0.427716008 -0.794543192 0.366827184 2 1: GGA B88 0 3 Ex 0.012647977 -0.201418423 0.214066400 2 1: GGA B88 0 4 Ex 0.008118227 0.098634872 0.090516645 2 1: GGA C09 0 1 Ex -0.640060181 -0.459500686 0.180559495 2 1: GGA C09 0 2 Ex -0.533342554 -0.713902049 0.180559495 2 +6: 2 5.800 0.000473640 -0.232083909 -0.232083909 -0.000000000 1: GGA C09 0 3 Ex -0.125497127 -0.366626590 0.241129464 2 1: GGA C09 0 4 Ex -0.080551551 0.175515712 0.256067263 2 1: GGA BH 0 1 Ex -0.555708994 -0.398736271 0.156972723 2 @@ -3904,6 +3938,8 @@ 1: GGA revPBE 0 4 Ex 0.059202452 0.574312062 0.515109610 2 1: GGA LYP 0 1 Ex -0.541592362 -0.428901808 0.112690553 2 1: GGA LYP 0 1 Ec -0.040078584 -0.097163684 0.057085100 2 +7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000001 +6: 2 6.000 0.000352629 -0.212182116 -0.212182116 -0.000000000 1: GGA LYP 0 2 Ex -0.524127875 -0.636818428 0.112690553 2 1: GGA LYP 0 2 Ec -0.452726398 -0.395641298 0.057085100 2 1: GGA LYP 0 3 Ex -0.003343913 -0.400933825 0.397589913 2 @@ -3930,6 +3966,8 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.688754411 -0.709153474 0.020399063 2 1: GGA PBEGcGxHEG 0 3 Ex 0.022091118 -0.302658330 0.324749447 2 1: GGA PBEGcGxHEG 0 4 Ex 0.021864580 0.296156988 0.274292407 2 +7: 2 5.000 0.001394815 -0.324805491 -0.324805493 0.000000001 +6: 2 6.200 0.000259921 -0.196433380 -0.196433380 -0.000000000 1: GGA PBESOL 0 1 Ex -0.561010265 -0.530512133 0.030498132 2 1: GGA PBESOL 0 2 Ex -0.716164254 -0.746662389 0.030498135 2 1: GGA PBESOL 0 3 Ex 0.029707222 -0.340336976 0.370044197 2 @@ -3957,11 +3995,13 @@ 1: GGA BH 0 1 Ex -0.533608971 -0.480206420 0.053402552 2 1: GGA BH 0 2 Ex -0.695786191 -0.749188746 0.053402555 2 1: GGA BH 0 3 Ex 0.031051955 -0.359369997 0.390421952 2 +7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 1: GGA BH 0 4 Ex 0.030733527 0.284301076 0.253567549 2 1: 1: iSpin dens gradDens 1: 1 0.000007561 -0.000020155 -0.000010144 0.000007182 1: 2 0.000007350 -0.000002336 0.000008141 -0.000008260 +6: 2 6.400 0.000189678 -0.183672030 -0.183672030 0.000000000 1: 3 0.000000029 -0.000035838 0.000042347 0.000052411 1: 4 0.000000098 0.000043174 -0.000068672 0.000006526 1: GGA PW91 0 1 Ex -0.003047279 -0.039900162 0.036852883 2 @@ -3987,6 +4027,8 @@ 1: GGA WC 0 1 Ex -0.043738182 -0.041461614 0.002276568 2 1: GGA WC 0 2 Ex -0.043364579 -0.045641120 0.002276541 2 1: GGA WC 0 3 Ex -0.000050725 0.002865287 0.002916012 2 +7: 2 5.400 0.000829225 -0.274842954 -0.274842954 0.000000000 +6: 2 6.600 0.000137039 -0.172541723 -0.172541726 0.000000003 1: GGA WC 0 4 Ex -0.000173227 -0.003481983 0.003308756 2 1: GGA PBEJsJrLO 0 1 Ex -0.043762433 -0.041762382 0.002000052 2 1: GGA PBEJsJrLO 0 2 Ex -0.043385429 -0.045385455 0.002000026 2 @@ -4002,8 +4044,10 @@ 1: GGA PBEGcGxLO 0 4 Ex -0.000171237 -0.003729879 0.003558642 2 1: GGA PBEGcGxHEG 0 1 Ex -0.037696297 -0.036539673 0.001156624 2 1: GGA PBEGcGxHEG 0 2 Ex -0.037362257 -0.038518859 0.001156601 2 +7: 2 5.600 0.000629844 -0.252923338 -0.252923338 0.000000000 1: GGA PBEGcGxHEG 0 3 Ex -0.000045354 0.001435656 0.001481010 2 1: GGA PBEGcGxHEG 0 4 Ex -0.000154883 -0.001835742 0.001680859 2 +6: 2 6.800 0.000098022 -0.161917868 -0.161917872 0.000000004 1: GGA PBESOL 0 1 Ex -0.043725012 -0.041276239 0.002448774 2 1: GGA PBESOL 0 2 Ex -0.043355702 -0.045804450 0.002448748 2 1: GGA PBESOL 0 3 Ex -0.000050143 0.003085064 0.003135206 2 @@ -4022,10 +4066,12 @@ 1: GGA PW86 0 4 Ex 0.000940508 -1.170040154 1.170980662 2 1: GGA B88 0 1 Ex -0.053897707 4.010423938 4.064321646 2 1: GGA B88 0 2 Ex -0.056345809 -4.120667294 4.064321485 2 +7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 1: GGA B88 0 3 Ex 0.000332387 5.262161508 5.261829121 2 1: GGA B88 0 4 Ex 0.001135103 -5.922468176 5.923603279 2 1: GGA BH 0 1 Ex -0.059364553 0.730154603 0.789519156 2 1: GGA BH 0 2 Ex -0.061317042 -0.850836136 0.789519095 2 +6: 2 7.000 0.000069415 -0.151110560 -0.151110563 0.000000003 1: GGA BH 0 3 Ex 0.000265096 1.020626891 1.020361795 2 1: GGA BH 0 4 Ex 0.000905304 -1.149269134 1.150174438 2 1: @@ -4043,10 +4089,12 @@ 1: GGA PBE 0 3 Ex 0.031535340 0.031507124 0.000028216 2 1: GGA PBE 0 4 Ex -0.064080489 -0.067011880 0.002931392 2 1: GGA RPBE 0 1 Ex -0.308924616 -0.308925680 0.000001065 2 +7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 1: GGA RPBE 0 2 Ex -0.390260021 -0.390258963 0.000001058 2 1: GGA revPBE 0 1 Ex -0.356678776 -0.369327266 0.012648491 2 1: GGA revPBE 0 2 Ex -0.423487666 -0.410839184 0.012648482 2 1: GGA revPBE 0 3 Ex 0.031886874 0.031816999 0.000069876 2 +6: 2 7.200 0.000048666 -0.139861549 -0.139861554 0.000000005 1: GGA revPBE 0 4 Ex -0.064794814 -0.071350011 0.006555197 2 1: GGA LYP 0 1 Ex -0.256940272 -0.436963642 0.180023370 2 1: GGA LYP 0 1 Ec 0.922257850 0.612051792 0.310206058 2 @@ -4062,12 +4110,14 @@ 1: GGA WC 0 4 Ex -0.063285652 -0.066317071 0.003031419 2 1: GGA PBEJsJrLO 0 1 Ex -0.291970467 -0.299717124 0.007746656 2 1: GGA PBEJsJrLO 0 2 Ex -0.352263901 -0.344517251 0.007746650 2 +7: 2 6.200 0.000259921 -0.200780146 -0.200780146 0.000000000 1: GGA PBEJsJrLO 0 3 Ex 0.028777145 0.028735102 0.000042043 2 1: GGA PBEJsJrLO 0 4 Ex -0.058475778 -0.062490180 0.004014402 2 1: GGA PBEJsJrHEG 0 1 Ex -0.257414341 -0.261285849 0.003871508 2 1: GGA PBEJsJrHEG 0 2 Ex -0.316947382 -0.313075880 0.003871502 2 1: GGA PBEJsJrHEG 0 3 Ex 0.028414221 0.028394934 0.000019287 2 1: GGA PBEJsJrHEG 0 4 Ex -0.057738308 -0.059743711 0.002005403 2 +6: 2 7.400 0.000033779 -0.128226737 -0.128226743 0.000000006 1: GGA PBEGcGxLO 0 1 Ex -0.288780131 -0.297894233 0.009114101 2 1: GGA PBEGcGxLO 0 2 Ex -0.345233973 -0.336119878 0.009114095 2 1: GGA PBEGcGxLO 0 3 Ex 0.026944566 0.026892127 0.000052439 2 @@ -4077,39 +4127,18 @@ 1: GGA PBEGcGxHEG 0 3 Ex 0.027443289 0.027419316 0.000023973 2 1: GGA PBEGcGxHEG 0 4 Ex -0.055765353 -0.058153453 0.002388100 2 1: GGA PBESOL 0 1 Ex -0.288780131 -0.297894233 0.009114101 2 +7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 1: GGA PBESOL 0 2 Ex -0.345233973 -0.336119878 0.009114095 2 1: GGA PBESOL 0 3 Ex 0.026944566 0.026892127 0.000052439 2 1: GGA PBESOL 0 4 Ex -0.054751937 -0.059476431 0.004724494 2 1: GGA AM05 0 1 Ex -0.213820858 -0.332767818 0.118946960 2 1: GGA AM05 0 1 Ec -0.048685274 -0.048660736 0.000024538 2 -7: 2 1.000 0.028016469 -0.881655824 -0.881655827 0.000000003 -7: 2 1.200 0.026517171 -0.869787130 -0.869787142 0.000000012 -7: 2 1.400 0.024848378 -0.849409711 -0.849409707 -0.000000004 -7: 2 1.600 0.023052921 -0.829194760 -0.829194762 0.000000002 -7: 2 1.800 0.021174391 -0.806916840 -0.806916844 0.000000004 -7: 2 2.000 0.019255418 -0.783153757 -0.783153761 0.000000004 -7: 2 2.200 0.017336125 -0.757597743 -0.757597741 -0.000000002 -7: 2 2.400 0.015452834 -0.730277351 -0.730277348 -0.000000003 -7: 2 2.600 0.013637077 -0.701421448 -0.701421449 0.000000001 -7: 2 2.800 0.011914930 -0.671294327 -0.671294326 -0.000000001 -6: 2 10.200 0.000000071 -0.018492378 -0.018492315 -0.000000063 -6: 2 10.400 0.000000042 -0.015573224 -0.015573163 -0.000000061 -6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 -6: 2 10.800 0.000000015 -0.010928714 -0.010928690 -0.000000024 -6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 -6: 2 11.200 0.000000005 -0.007563161 -0.007563174 0.000000013 -6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 -6: 2 11.600 0.000000002 -0.005161710 -0.005161583 -0.000000127 -6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000274 -7: 2 3.000 0.010306678 -0.640127830 -0.640127826 -0.000000003 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.05 sec -7: 2 3.200 0.008826792 -0.608140908 -0.608140904 -0.000000003 -7: 2 3.400 0.007484177 -0.575559240 -0.575559246 0.000000006 1: GGA AM05 0 2 Ex -0.221931600 -0.102984640 0.118946960 2 1: GGA AM05 0 2 Ec -0.033758684 -0.033783222 0.000024538 2 1: GGA AM05 0 3 Ex 0.003871134 -0.015228668 0.019099803 2 1: GGA AM05 0 4 Ex -0.007866228 -0.078587786 0.070721558 2 1: GGA AM05 0 4 Ec 0.014476600 0.014489365 0.000012764 2 +6: 2 7.600 0.000023212 -0.116433222 -0.116433229 0.000000007 1: GGA PW86 0 1 Ex -0.307393260 -0.365514396 0.058121136 2 1: GGA PW86 0 2 Ex -0.332831831 -0.274710703 0.058121127 2 1: GGA PW86 0 3 Ex 0.012141446 0.004797331 0.007344115 2 @@ -4120,6 +4149,7 @@ 1: GGA B88 0 4 Ex -0.008504835 -0.115916926 0.107412091 2 1: GGA C09 0 1 Ex -0.369812314 -0.375826447 0.006014133 2 1: GGA C09 0 2 Ex -0.449856375 -0.443842251 0.006014125 2 +7: 2 6.600 0.000137039 -0.180551188 -0.180551190 0.000000003 1: GGA C09 0 3 Ex 0.038203821 0.038222127 0.000018305 2 1: GGA C09 0 4 Ex -0.077630986 -0.080722498 0.003091512 2 1: GGA BH 0 1 Ex -0.309684071 -0.365716646 0.056032575 2 @@ -4134,6 +4164,7 @@ 1: 4 0.000794773 -0.027335294 0.001918757 -0.005353963 1: GGA PW91 0 1 Ex -0.092474745 -0.178518468 0.086043723 2 1: GGA PW91 0 2 Ex -0.174104555 -0.088060831 0.086043724 2 +6: 2 7.800 0.000015792 -0.104762753 -0.104762762 0.000000009 1: GGA PW91 0 3 Ex -0.076059594 -0.125311130 0.049251536 2 1: GGA PW91 0 4 Ex -0.055683855 -0.051478216 0.004205639 2 1: GGA PBE 0 1 Ex -0.242891606 -0.322840310 0.079948704 2 @@ -4142,6 +4173,7 @@ 1: GGA PBE 0 4 Ex 0.001818855 0.005386239 0.003567384 2 1: GGA RPBE 0 1 Ex -0.249012824 -0.345066315 0.096053492 2 1: GGA RPBE 0 2 Ex -0.252934964 -0.156881473 0.096053491 2 +7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA RPBE 0 3 Ex -0.003654503 -0.058347535 0.054693032 2 1: GGA RPBE 0 4 Ex -0.002675492 0.001625866 0.004301357 2 1: GGA revPBE 0 1 Ex -0.278504638 -0.416103629 0.137598991 2 @@ -4156,12 +4188,14 @@ 1: GGA LYP 0 3 Ec 0.222937702 0.233213864 0.010276163 2 1: GGA LYP 0 4 Ex 0.022991203 0.019718800 0.003272403 2 1: GGA LYP 0 4 Ec 0.163214527 0.202807688 0.039593161 2 +6: 2 8.000 0.000010636 -0.093477793 -0.093477805 0.000000011 1: GGA WC 0 1 Ex -0.233823727 -0.335740298 0.101916571 2 1: GGA WC 0 2 Ex -0.220091637 -0.118175067 0.101916571 2 1: GGA WC 0 3 Ex 0.012795046 -0.045221721 0.058016767 2 1: GGA WC 0 4 Ex 0.009367358 0.013911171 0.004543812 2 1: GGA PBEJsJrLO 0 1 Ex -0.236165142 -0.324137716 0.087972574 2 1: GGA PBEJsJrLO 0 2 Ex -0.225291860 -0.137319286 0.087972574 2 +7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000016 1: GGA PBEJsJrLO 0 3 Ex 0.010131316 -0.039946890 0.050078206 2 1: GGA PBEJsJrLO 0 4 Ex 0.007417220 0.011338216 0.003920996 2 1: GGA PBEJsJrHEG 0 1 Ex -0.215677479 -0.270490219 0.054812740 2 @@ -4174,9 +4208,11 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.010036407 0.014050312 0.004013905 2 1: GGA PBEGcGxHEG 0 1 Ex -0.213084507 -0.271328742 0.058244235 2 1: GGA PBEGcGxHEG 0 2 Ex -0.216191904 -0.157947669 0.058244235 2 +6: 2 8.200 0.000007092 -0.082785576 -0.082785590 0.000000014 1: GGA PBEGcGxHEG 0 3 Ex -0.002895356 -0.036051894 0.033156538 2 1: GGA PBEGcGxHEG 0 4 Ex -0.002119714 0.000477812 0.002597526 2 1: GGA PBESOL 0 1 Ex -0.232889570 -0.323029015 0.090139444 2 +7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PBESOL 0 2 Ex -0.218176688 -0.128037244 0.090139444 2 1: GGA PBESOL 0 3 Ex 0.013708912 -0.037600095 0.051309007 2 1: GGA PBESOL 0 4 Ex 0.010036407 0.014050312 0.004013905 2 @@ -4195,10 +4231,12 @@ 1: GGA B88 0 1 Ex -0.239367578 -0.488229482 0.248861903 2 1: GGA B88 0 2 Ex -0.205663769 0.043198130 0.248861899 2 1: GGA B88 0 3 Ex 0.031403945 -0.099743934 0.131147880 2 +6: 2 8.400 0.000004681 -0.072828254 -0.072828270 0.000000016 1: GGA B88 0 4 Ex 0.022991087 0.019718663 0.003272423 2 1: GGA C09 0 1 Ex -0.258829169 -0.435577318 0.176748149 2 1: GGA C09 0 2 Ex -0.196386645 -0.019638497 0.176748149 2 1: GGA C09 0 3 Ex 0.058181600 -0.042459121 0.100640721 2 +7: 2 7.400 0.000033779 -0.163293898 -0.163293895 -0.000000004 1: GGA C09 0 4 Ex 0.042595229 0.050510158 0.007914930 2 1: GGA BH 0 1 Ex -0.271310747 -0.414434675 0.143123928 2 1: GGA BH 0 2 Ex -0.233306234 -0.090182308 0.143123926 2 @@ -4218,8 +4256,10 @@ 1: GGA PBE 0 2 Ex -1.296663609 -1.472761118 0.176097509 2 1: GGA PBE 0 3 Ex -0.003193875 0.652605440 0.655799315 2 1: GGA PBE 0 4 Ex 0.009154742 0.325461431 0.316306689 2 +6: 2 8.600 0.000003059 -0.063687629 -0.063687643 0.000000014 1: GGA RPBE 0 1 Ex -1.285208206 -1.047682592 0.237525614 2 1: GGA RPBE 0 2 Ex -1.223383602 -1.460909221 0.237525619 2 +7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA RPBE 0 3 Ex -0.021701032 0.863010908 0.884711940 2 1: GGA RPBE 0 4 Ex 0.062202609 0.488898953 0.426696344 2 1: GGA revPBE 0 1 Ex -1.194789398 -0.947341173 0.247448224 2 @@ -4240,6 +4280,8 @@ 1: GGA WC 0 4 Ex -0.081099640 0.218300014 0.299399654 2 1: GGA PBEJsJrLO 0 1 Ex -1.224226104 -1.061410724 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0.000002427 2 1: GGA RPBE 0 2 Ex -0.185633377 -0.185635783 0.000002406 2 1: GGA RPBE 0 3 Ex 0.064444931 0.064446706 0.000001775 2 1: GGA revPBE 0 1 Ex -0.288057183 -0.285549041 0.002508143 2 +6: 2 9.400 0.000000504 -0.035452601 -0.035452510 -0.000000091 1: GGA revPBE 0 2 Ex -0.215718691 -0.218226810 0.002508119 2 1: GGA revPBE 0 3 Ex 0.050934387 0.052758440 0.001824053 2 1: GGA revPBE 0 4 Ex -0.003275178 -0.002606895 0.000668283 2 @@ -4316,11 +4364,13 @@ 1: GGA WC 0 3 Ex 0.050513599 0.051358928 0.000845329 2 1: GGA WC 0 4 Ex -0.003248120 -0.002940395 0.000307725 2 1: GGA PBEJsJrLO 0 1 Ex -0.242335522 -0.240794617 0.001540905 2 +7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 1: GGA PBEJsJrLO 0 2 Ex -0.176266558 -0.177807443 0.001540885 2 1: GGA PBEJsJrLO 0 3 Ex 0.046519938 0.047640572 0.001120634 2 1: GGA PBEJsJrLO 0 4 Ex -0.002991320 -0.002580687 0.000410633 2 1: GGA PBEJsJrHEG 0 1 Ex -0.221019654 -0.220237973 0.000781681 2 1: GGA PBEJsJrHEG 0 2 Ex -0.155017474 -0.155799137 0.000781664 2 +6: 2 9.600 0.000000313 -0.030299188 -0.030299098 -0.000000090 1: GGA PBEJsJrHEG 0 3 Ex 0.046472914 0.047041411 0.000568497 2 1: GGA PBEJsJrHEG 0 4 Ex -0.002988296 -0.002779833 0.000208463 2 1: GGA PBEGcGxLO 0 1 Ex -0.236220607 -0.234426157 0.001794450 2 @@ -4332,6 +4382,7 @@ 1: GGA PBEGcGxHEG 0 3 Ex 0.044772058 0.045443835 0.000671777 2 1: GGA PBEGcGxHEG 0 4 Ex -0.002878928 -0.002632681 0.000246247 2 1: GGA PBESOL 0 1 Ex -0.236220607 -0.234426157 0.001794450 2 +7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA PBESOL 0 2 Ex -0.174618854 -0.176413284 0.001794431 2 1: GGA PBESOL 0 3 Ex 0.043374522 0.044679529 0.001305007 2 1: GGA PBESOL 0 4 Ex -0.002789064 -0.002311140 0.000477924 2 @@ -4339,6 +4390,7 @@ 1: GGA AM05 0 1 Ec -0.025971342 -0.025976834 0.000005492 2 1: GGA AM05 0 2 Ex -0.243816929 -0.295225243 0.051408314 2 1: GGA AM05 0 2 Ec -0.046836598 -0.046831106 0.000005492 2 +6: 2 9.800 0.000000193 -0.025795893 -0.025795813 -0.000000081 1: GGA AM05 0 3 Ex -0.046333719 -0.014089729 0.032243990 2 1: GGA AM05 0 3 Ec -0.014691473 -0.014695467 0.000003994 2 1: GGA AM05 0 4 Ex 0.002979346 -0.063298612 0.066277958 2 @@ -4353,6 +4405,7 @@ 1: GGA B88 0 4 Ex 0.003421766 -0.108332538 0.111754304 2 1: GGA C09 0 1 Ex -0.297612626 -0.295410074 0.002202552 2 1: GGA C09 0 2 Ex -0.218370374 -0.220572902 0.002202528 2 +7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA C09 0 3 Ex 0.055795406 0.057397647 0.001602241 2 1: GGA C09 0 4 Ex -0.003587750 -0.002994243 0.000593507 2 1: GGA BH 0 1 Ex -0.256256769 -0.241767523 0.014489245 2 @@ -4366,6 +4419,7 @@ 1: 3 -0.043584136 0.322186261 0.262662642 0.297687237 1: 4 -0.006562084 0.402622504 -0.505835728 0.154684072 1: GGA PW91 0 1 Ex -0.560717002 -0.527774662 0.032942340 2 +6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA PW91 0 2 Ex -0.609522508 -0.642464854 0.032942346 2 1: GGA PW91 0 3 Ex 0.058072276 0.057480025 0.000592251 2 1: GGA PW91 0 4 Ex 0.008743437 -0.079264437 0.088007874 2 @@ -4375,6 +4429,7 @@ 1: GGA PBE 0 4 Ex 0.007377503 -0.066974872 0.074352375 2 1: GGA RPBE 0 1 Ex -0.517220205 -0.474138413 0.043081792 2 1: GGA RPBE 0 2 Ex -0.566157295 -0.609239094 0.043081799 2 +7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA RPBE 0 3 Ex 0.058228843 0.059577218 0.001348374 2 1: GGA RPBE 0 4 Ex 0.008767010 -0.120429141 0.129196151 2 1: GGA revPBE 0 1 Ex -0.521714576 -0.480810404 0.040904172 2 @@ -4389,6 +4444,7 @@ 1: GGA LYP 0 3 Ec -0.030322212 -0.042940532 0.012618319 2 1: GGA LYP 0 4 Ex 0.010265886 -0.105778757 0.116044643 2 1: GGA LYP 0 4 Ec -0.004565352 0.061598693 0.066164045 2 +6: 2 10.200 0.000000071 -0.018492378 -0.018492315 -0.000000063 1: GGA WC 0 1 Ex -0.557729274 -0.532915157 0.024814117 2 1: GGA WC 0 2 Ex -0.620859736 -0.645673859 0.024814123 2 1: GGA WC 0 3 Ex 0.075117131 0.078830792 0.003713661 2 @@ -4396,6 +4452,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.552544596 -0.525016127 0.027528469 2 1: GGA PBEJsJrLO 0 2 Ex -0.604510868 -0.632039342 0.027528475 2 1: GGA PBEJsJrLO 0 3 Ex 0.061833181 0.062475414 0.000642234 2 +7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA PBEJsJrLO 0 4 Ex 0.009309684 -0.071787400 0.081097084 2 1: GGA PBEJsJrHEG 0 1 Ex -0.577948796 -0.554579049 0.023369748 2 1: GGA PBEJsJrHEG 0 2 Ex -0.624157348 -0.647527101 0.023369753 2 @@ -4406,6 +4463,7 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.066915455 0.068896652 0.001981197 2 1: GGA PBEGcGxLO 0 4 Ex 0.010074877 -0.070385057 0.080459934 2 1: GGA PBEGcGxHEG 0 1 Ex -0.572178078 -0.551229077 0.020949001 2 +6: 2 10.400 0.000000042 -0.015573224 -0.015573163 -0.000000061 1: GGA PBEGcGxHEG 0 2 Ex -0.622765143 -0.643714150 0.020949007 2 1: GGA PBEGcGxHEG 0 3 Ex 0.060192101 0.059588921 0.000603180 2 1: GGA PBEGcGxHEG 0 4 Ex 0.009062601 -0.045399512 0.054462113 2 @@ -4419,6 +4477,7 @@ 1: GGA AM05 0 2 Ec -0.060364226 -0.059468909 0.000895317 2 1: GGA AM05 0 3 Ex 0.081882991 0.088240889 0.006357898 2 1: GGA AM05 0 3 Ec -0.009371044 -0.008917222 0.000453822 2 +7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002249 1: GGA AM05 0 4 Ex 0.012328409 -0.070703845 0.083032254 2 1: GGA AM05 0 4 Ec -0.001410916 -0.001926305 0.000515388 2 1: GGA PW86 0 1 Ex -0.591104470 -0.555753047 0.035351424 2 @@ -4431,12 +4490,14 @@ 1: GGA B88 0 4 Ex 0.010259519 -0.105779947 0.116039466 2 1: GGA C09 0 1 Ex -0.516201049 -0.492806436 0.023394612 2 1: GGA C09 0 2 Ex -0.589298765 -0.612693383 0.023394618 2 +6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 1: GGA C09 0 3 Ex 0.086976883 0.095319240 0.008342357 2 1: GGA C09 0 4 Ex 0.013095352 -0.107607003 0.120702355 2 1: GGA BH 0 1 Ex -0.480155281 -0.453663995 0.026491286 2 1: GGA BH 0 2 Ex -0.568240815 -0.594732107 0.026491292 2 1: GGA BH 0 3 Ex 0.104810457 0.118953429 0.014142972 2 1: GGA BH 0 4 Ex 0.015780398 -0.152091311 0.167871709 2 +7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: 1: iSpin dens gradDens 1: 1 0.000307293 0.000108623 -0.000061496 -0.001110645 @@ -4455,9 +4516,11 @@ 1: GGA RPBE 0 2 Ex -0.164137585 -0.164153502 0.000015917 2 1: GGA RPBE 0 3 Ex -0.015234794 -0.015259555 0.000024761 2 1: GGA RPBE 0 4 Ex 0.017109174 0.017079334 0.000029840 2 +6: 2 10.800 0.000000015 -0.010928714 -0.010928690 -0.000000024 1: GGA revPBE 0 1 Ex -0.169363810 -0.151178278 0.018185532 2 1: GGA revPBE 0 2 Ex -0.176233315 -0.194418844 0.018185529 2 1: GGA revPBE 0 3 Ex -0.006260627 -0.034668850 0.028408223 2 +7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA revPBE 0 4 Ex 0.007030889 -0.027149167 0.034180057 2 1: GGA LYP 0 1 Ex -0.145935873 -0.211462318 0.065526444 2 1: GGA LYP 0 1 Ec -0.379882610 -0.076094578 0.303788032 2 @@ -4478,7 +4541,9 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.122521219 -0.116854460 0.005666759 2 1: GGA PBEJsJrHEG 0 2 Ex -0.132630047 -0.138296804 0.005666757 2 1: GGA PBEJsJrHEG 0 3 Ex -0.009212833 -0.018061403 0.008848570 2 +6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 1: GGA PBEJsJrHEG 0 4 Ex 0.010346314 -0.000301214 0.010647528 2 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA PBEGcGxLO 0 1 Ex -0.137258541 -0.124247260 0.013011280 2 1: GGA PBEGcGxLO 0 2 Ex -0.143944598 -0.156955877 0.013011278 2 1: GGA PBEGcGxLO 0 3 Ex -0.006093439 -0.026422400 0.020328960 2 @@ -4497,6 +4562,8 @@ 1: GGA AM05 0 2 Ec -0.021826821 -0.021762421 0.000064400 2 1: GGA AM05 0 3 Ex 0.015471692 -0.038354050 0.053825742 2 1: GGA AM05 0 3 Ec 0.003866819 0.003967462 0.000100644 2 +7: 2 10.400 0.000000042 -0.024899792 -0.024901681 0.000001888 +6: 2 11.200 0.000000005 -0.007563161 -0.007563174 0.000000013 1: GGA AM05 0 4 Ex -0.017375217 -0.047928970 0.030553753 2 1: GGA AM05 0 4 Ec -0.004342564 -0.004221486 0.000121079 2 1: GGA PW86 0 1 Ex -0.168056662 -0.158805735 0.009250927 2 @@ -4518,11 +4585,13 @@ 1: 1: iSpin dens gradDens 1: 1 0.001133432 0.008136166 0.007913391 -0.002145919 +7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 1: 2 0.000828154 0.004923184 0.004668237 0.008531684 1: 3 0.000003460 0.001353690 -0.001690321 0.002111772 1: 4 0.000107134 0.009286367 -0.000245850 0.002508686 1: GGA PW91 0 1 Ex -0.127386993 -0.134726813 0.007339820 2 1: GGA PW91 0 2 Ex -0.139049569 -0.131709748 0.007339821 2 +6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 1: GGA PW91 0 3 Ex 0.000132176 -0.006092625 0.006224800 2 1: GGA PW91 0 4 Ex 0.004092851 0.014751301 0.010658450 2 1: GGA PBE 0 1 Ex -0.228533484 -0.228305865 0.000227620 2 @@ -4535,6 +4604,7 @@ 1: GGA revPBE 0 4 Ex -0.010542583 -0.011343893 0.000801310 2 1: GGA LYP 0 1 Ex -0.185458678 -0.098780893 0.086677785 2 1: GGA LYP 0 1 Ec -0.570805299 -0.353272506 0.217532792 2 +7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 1: GGA LYP 0 2 Ex -0.160432655 -0.247110441 0.086677785 2 1: GGA LYP 0 2 Ec -0.142046525 -0.359579318 0.217532793 2 1: GGA LYP 0 3 Ex -0.000283628 0.017696030 0.017979658 2 @@ -4542,7 +4612,9 @@ 1: GGA LYP 0 4 Ex -0.008782604 -0.132857380 0.124074775 2 1: GGA LYP 0 4 Ec -0.150468122 -0.459157727 0.308689605 2 1: GGA WC 0 1 Ex -0.226948412 -0.226582563 0.000365849 2 +6: 2 11.600 0.000000002 -0.005161710 -0.005161583 -0.000000127 1: GGA WC 0 2 Ex -0.203279465 -0.203645303 0.000365838 2 +6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000274 1: GGA WC 0 3 Ex -0.000268248 0.000010058 0.000278306 2 1: GGA WC 0 4 Ex -0.008306353 -0.008836481 0.000530128 2 1: GGA PBEJsJrLO 0 1 Ex -0.226554636 -0.226222245 0.000332390 2 @@ -4556,6 +4628,7 @@ 1: GGA PBEGcGxLO 0 1 Ex -0.225143387 -0.224734117 0.000409270 2 1: GGA PBEGcGxLO 0 2 Ex -0.201089754 -0.201499012 0.000409259 2 1: GGA PBEGcGxLO 0 3 Ex -0.000272607 0.000125762 0.000398369 2 +7: 2 11.000 0.000000008 -0.020221667 -0.020223275 0.000001608 1: GGA PBEGcGxLO 0 4 Ex -0.008441355 -0.009037225 0.000595870 2 1: GGA PBEGcGxHEG 0 1 Ex -0.196731395 -0.196539971 0.000191424 2 1: GGA PBEGcGxHEG 0 2 Ex -0.176339954 -0.176531367 0.000191414 2 @@ -4565,6 +4638,7 @@ 1: GGA PBESOL 0 2 Ex -0.201089754 -0.201499012 0.000409259 2 1: GGA PBESOL 0 3 Ex -0.000272607 0.000125762 0.000398369 2 1: GGA PBESOL 0 4 Ex -0.008441355 -0.009037225 0.000595870 2 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.04 sec 1: GGA AM05 0 1 Ex -0.152767127 -0.095932929 0.056834197 2 1: GGA AM05 0 2 Ex -0.132152156 -0.188986354 0.056834198 2 1: GGA AM05 0 3 Ex -0.000233636 0.011772037 0.012005672 2 @@ -4586,19 +4660,7 @@ 1: GGA BH 0 2 Ex -0.197596738 -0.221622912 0.024026173 2 1: GGA BH 0 3 Ex -0.000319145 0.005422622 0.005741767 2 1: GGA BH 0 4 Ex -0.009882415 -0.044298991 0.034416576 2 -7: 2 3.600 0.006282640 -0.542620903 -0.542620905 0.000000002 -7: 2 3.800 0.005221523 -0.509578436 -0.509578436 -0.000000000 -7: 2 4.000 0.004296443 -0.476699712 -0.476699710 -0.000000003 -7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 -7: 2 4.400 0.002822947 -0.412572354 -0.412572354 -0.000000000 -7: 2 4.600 0.002254159 -0.381911080 -0.381911079 -0.000000000 -7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000001 -7: 2 5.000 0.001394815 -0.324805491 -0.324805493 0.000000001 -7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 -7: 2 5.400 0.000829225 -0.274842954 -0.274842954 0.000000000 -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 0.000000000 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 -7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 +7: 2 11.200 0.000000005 -0.018978407 -0.018979847 0.000001440 1: 1: iSpin dens gradDens 1: 1 0.000000000 -0.000000001 0.000000000 0.000000001 @@ -4609,6 +4671,7 @@ 1: GGA LYP 0 1 Ec -0.000399843 -0.001206934 0.000807091 2 1: GGA LYP 0 2 Ex 0.000000000 -0.004009514 0.004009514 2 1: GGA LYP 0 2 Ec -0.000399843 -0.001206934 0.000807091 2 +7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 1: GGA AM05 0 1 Ex -0.023038960 0.811771855 0.834810816 2 1: GGA AM05 0 2 Ex -0.022981484 -0.857792300 0.834810816 2 1: GGA AM05 0 3 Ex 0.000794355 0.319393862 0.318599507 2 @@ -4625,6 +4688,8 @@ 1: GGA BH 0 2 Ex -0.009991657 -0.047041283 0.037049626 2 1: GGA BH 0 3 Ex 0.000097533 0.014196590 0.014099057 2 1: GGA BH 0 4 Ex 0.000045539 -0.027276510 0.027322049 2 +7: 2 11.600 0.000000002 -0.016855994 -0.016857266 0.000001272 +7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 1: 1: iSpin dens gradDens 1: 1 1.917786045 -4.673231096 -4.136315021 -12.748841924 @@ -4668,6 +4733,7 @@ 1: GGA PBEJsJrHEG 0 3 Ex -0.002463379 0.000416908 0.002880287 2 1: GGA PBEJsJrHEG 0 4 Ex 0.006887867 0.166188387 0.159300521 2 1: GGA PBEGcGxLO 0 1 Ex -1.395490287 -1.785640219 0.390149932 2 +4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.04 sec 1: GGA PBEGcGxLO 0 2 Ex -1.374497135 -0.984347208 0.390149927 2 1: GGA PBEGcGxLO 0 3 Ex 0.007508601 0.028955210 0.021446609 2 1: GGA PBEGcGxLO 0 4 Ex -0.020994839 0.181734556 0.202729395 2 @@ -4934,6 +5000,7 @@ 1: GGA C09 0 3 Ex 0.048210363 0.033997825 0.014212539 2 1: GGA C09 0 4 Ex 0.020173604 0.052795424 0.032621820 2 1: GGA BH 0 1 Ex -0.357682377 -0.354295471 0.003386906 2 +5/9 Test #5: libgridxc_test6 .................. Passed 0.04 sec 1: GGA BH 0 2 Ex -0.356437320 -0.359824250 0.003386929 2 1: GGA BH 0 3 Ex 0.002107268 -0.021087600 0.023194868 2 1: GGA BH 0 4 Ex 0.000881785 0.058703400 0.057821615 2 @@ -5057,19 +5124,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.764048640 -0.513387477 0.250661163 2 1: GGA PBEJsJrHEG 0 3 Ex -0.013500530 -0.152641717 0.139141188 2 1: GGA PBEJsJrHEG 0 4 Ex 0.045079306 -0.055137184 0.100216490 2 -7: 2 6.200 0.000259921 -0.200780146 -0.200780146 0.000000000 -7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 -7: 2 6.600 0.000137039 -0.180551188 -0.180551190 0.000000003 -7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 -7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000016 -7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 -7: 2 7.400 0.000033779 -0.163293898 -0.163293895 -0.000000004 -7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 -7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 -7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 -7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 -7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 1: GGA PBEGcGxLO 0 1 Ex -0.749931807 -1.032603351 0.282671544 2 1: GGA PBEGcGxLO 0 2 Ex -0.719660210 -0.436988650 0.282671560 2 1: GGA PBEGcGxLO 0 3 Ex -0.019407479 -0.219401610 0.199994132 2 @@ -5122,8 +5176,6 @@ 1: GGA PBE 0 4 Ex 0.002198508 -0.048043268 0.050241776 2 1: GGA RPBE 0 1 Ex -0.688420556 -0.601040108 0.087380448 2 1: GGA RPBE 0 2 Ex -0.685974106 -0.773354540 0.087380435 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA RPBE 0 3 Ex -0.016407655 -0.015865025 0.000542630 2 1: GGA RPBE 0 4 Ex -0.001644451 -0.072056598 0.070412147 2 1: GGA revPBE 0 1 Ex -0.780533852 -0.697925051 0.082608802 2 @@ -5230,10 +5282,6 @@ 1: GGA PBEJsJrHEG 0 4 Ex -0.011492365 1.050070573 1.061562938 2 1: GGA PBEGcGxLO 0 1 Ex -0.902610483 -2.605605690 1.702995207 2 1: GGA PBEGcGxLO 0 2 Ex -0.854821526 0.848173679 1.702995205 2 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 -7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002249 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA PBEGcGxLO 0 3 Ex 0.012602426 -1.028457731 1.041060157 2 1: GGA PBEGcGxLO 0 4 Ex -0.015909054 1.717210792 1.733119846 2 1: GGA PBEGcGxHEG 0 1 Ex -0.936724054 -2.011278780 1.074554726 2 @@ -5355,7 +5403,6 @@ 1: GGA PW91 0 1 Ex -1.113975369 -1.154994364 0.041018996 2 1: GGA PW91 0 2 Ex -0.942386847 -0.901367848 0.041018999 2 1: GGA PW91 0 3 Ex 0.181209627 0.191230536 0.010020909 2 -7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA PW91 0 4 Ex 0.017288031 -0.291311018 0.308599049 2 1: GGA PBE 0 1 Ex -0.863794508 -0.939054648 0.075260140 2 1: GGA PBE 0 2 Ex -0.832433475 -0.757173330 0.075260144 2 @@ -5561,11 +5608,6 @@ 1: GGA AM05 0 1 Ec -0.091812485 -0.085098834 0.006713651 2 1: GGA AM05 0 2 Ex -0.976060480 -0.973398103 0.002662377 2 1: GGA AM05 0 2 Ec -0.072236930 -0.078950581 0.006713651 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 -7: 2 10.400 0.000000042 -0.024899792 -0.024901681 0.000001888 -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 1: GGA AM05 0 3 Ex 0.183365877 0.046753976 0.136611901 2 1: GGA AM05 0 3 Ec -0.016658357 -0.014396740 0.002261617 2 1: GGA AM05 0 4 Ex -0.158528924 -0.318353395 0.159824470 2 @@ -5987,11 +6029,6 @@ 1: GGA PW91 0 3 Ex 0.094919055 0.119210255 0.024291200 2 1: GGA PW91 0 4 Ex -0.099155565 0.256130006 0.355285571 2 1: GGA PBE 0 1 Ex -0.759950928 -0.885301960 0.125351032 2 -7: 2 11.200 0.000000005 -0.018978407 -0.018979847 0.000001440 -7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 -7: 2 11.600 0.000000002 -0.016855994 -0.016857266 0.000001272 -7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 -4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.07 sec 1: GGA PBE 0 2 Ex -0.576633383 -0.451282347 0.125351036 2 1: GGA PBE 0 3 Ex 0.037177296 -0.137781925 0.174959221 2 1: GGA PBE 0 4 Ex -0.038836625 0.089521864 0.128358490 2 @@ -6772,7 +6809,6 @@ 1: GGA PW91 0 1 Ex -1.003344105 -1.576336378 0.572992272 2 1: GGA PW91 0 2 Ex -1.044163989 -0.471171702 0.572992288 2 1: GGA PW91 0 3 Ex -0.044312483 -0.457759949 0.413447466 2 -5/9 Test #5: libgridxc_test6 .................. Passed 0.09 sec 1: GGA PW91 0 4 Ex 0.007232719 -0.908901978 0.916134697 2 1: GGA PBE 0 1 Ex -1.003455913 -1.571631833 0.568175920 2 1: GGA PBE 0 2 Ex -1.037609483 -0.469433548 0.568175935 2 @@ -9489,58 +9525,58 @@ 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 0.15 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 -0.524218950 -0.000000011 -3: 5 6 2 1 -0.626312320 -0.626312325 0.000000005 -3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005 +6/9 Test #1: libgridxc_test1 .................. Passed 0.09 sec 2: 2: funcs= VDW 2: auths= BH 2: dr, rMax = 0.200000 20.000000 -3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 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: Ex, Ec = -3.716289981 -0.771674483 +3: Dx, Dc = 1.192543612 0.121155159 2: 1 0.600 0.045524817 -0.987412253 -0.987507999 0.000095746 2: 1 0.800 0.043959010 -0.980158453 -0.980143398 -0.000015055 2: 1 1.000 0.042024703 -0.963929151 -0.963927492 -0.000001659 2: 1 1.200 0.039775757 -0.949006509 -0.949005812 -0.000000697 -3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 2: 1 1.400 0.037272568 -0.929353368 -0.929356359 0.000002991 2: 1 1.600 0.034579382 -0.908100586 -0.908099063 -0.000001523 +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 -0.884442165 -0.000000783 2: 1 2.000 0.028883127 -0.858808538 -0.858809374 0.000000836 2: 1 2.200 0.026004187 -0.831341143 -0.831341125 -0.000000017 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: 4 2 23 2 -0.524218962 -0.524218950 -0.000000011 2: 1 3.000 0.015460016 -0.708430779 -0.708429554 -0.000001224 2: 1 3.200 0.013240188 -0.675669578 -0.675674006 0.000004429 2: 1 3.400 0.011226266 -0.642459702 -0.642454691 -0.000005011 2: 1 3.600 0.009423960 -0.609091304 -0.609092448 0.000001144 2: 1 3.800 0.007832284 -0.575839731 -0.575841531 0.000001800 +3: 5 6 2 1 -0.626312320 -0.626312325 0.000000005 2: 1 4.000 0.006444664 -0.542697531 -0.542696462 -0.000001069 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 -0.446566566 -0.000011083 2: 1 4.800 0.002673091 -0.416186718 -0.416202730 0.000016011 2: 1 5.000 0.002092223 -0.386734472 -0.386724842 -0.000009630 +3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005 2: 1 5.200 0.001621280 -0.359258071 -0.359253814 -0.000004257 2: 1 5.400 0.001243837 -0.329009264 -0.329019031 0.000009767 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 0.000000604 +3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 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 -0.203471426 -0.000000676 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 -0.181015279 -0.000001093 +3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001107 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001310 @@ -9625,7 +9661,7 @@ 2: 2 11.400 0.000000003 -0.018968230 -0.018969178 0.000000948 2: 2 11.600 0.000000002 -0.016816386 -0.016817212 0.000000826 2: avgDiffVxc, maxDiffVxc = 0.000088733 0.000834865 -7/9 Test #2: libgridxc_test2 .................. Passed 7.53 sec +7/9 Test #2: libgridxc_test2 .................. Passed 6.14 sec 4: 4: funcs= VDW 4: auths= BH @@ -9636,7 +9672,7 @@ 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 7.98 sec +8/9 Test #4: libgridxc_test4 .................. Passed 6.47 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9649,11 +9685,11 @@ 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 9.44 sec +9/9 Test #3: libgridxc_test3 .................. Passed 8.20 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 9.46 sec +Total Test time (real) = 8.21 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=cmake @@ -9680,81 +9716,81 @@ make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.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_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/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_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-2.0.2/obj-x86_64-linux-gnu' +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-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.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-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/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 -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.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-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.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-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/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-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/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-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/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-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build +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-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/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-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/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-2.0.2/obj-x86_64-linux-gnu' -[ 68%] Built target libgridxc-test3 +[ 72%] Built target libgridxc-test_libxc2 [ 72%] Built target libgridxc-test2 -[ 76%] Built target libgridxc-test6 -[ 80%] Built target libgridxc-test1 -[ 84%] Built target libgridxc-test_libxc [ 88%] Built target libgridxc-test_match -[ 94%] Built target libgridxc-test_hse06 -[ 96%] Built target libgridxc-test_libxc2 -[100%] Built target libgridxc-test4 +[ 88%] Built target libgridxc-test1 +[ 88%] Built target libgridxc-test_hse06 +[ 88%] Built target libgridxc-test4 +[ 96%] Built target libgridxc-test3 +[ 96%] Built target libgridxc-test6 +[100%] Built target libgridxc-test_libxc make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall @@ -9771,40 +9807,40 @@ -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0 --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' dh_installdocs -O--buildsystem=cmake @@ -9834,12 +9870,14 @@ 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/1933884/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1933884/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/605327 and its subdirectories -I: Current time: Wed Apr 1 02:50:44 -12 2026 -I: pbuilder-time-stamp: 1775055044 +I: removing directory /srv/workspace/pbuilder/1933884 and its subdirectories +I: Current time: Thu Feb 27 22:29:47 +14 2025 +I: pbuilder-time-stamp: 1740644987