Diff of the two buildlogs: -- --- b1/build.log 2024-11-15 00:13:06.053886441 +0000 +++ b2/build.log 2024-11-15 00:14:10.838939713 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Thu Nov 14 12:12:08 -12 2024 -I: pbuilder-time-stamp: 1731629528 +I: Current time: Thu Dec 18 20:36:08 +14 2025 +I: pbuilder-time-stamp: 1766039768 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -25,52 +25,84 @@ 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/157188/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/3651694/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-arm64. +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 Dec 18 06:36 /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/3651694/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/3651694/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='arm64' - 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]="32" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.32(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='4e26da3a3ccc46c4bd49416cec66bc88' - 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='157188' - PS1='# ' - PS2='> ' + INVOCATION_ID=0a5736db0dd54249a56770f4cffde0a4 + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-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=3651694 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.CsYJL6aC/pbuilderrc_fwWJ --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.CsYJL6aC/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' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.CsYJL6aC/pbuilderrc_v2NL --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.CsYJL6aC/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' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink04-arm64 6.1.0-27-cloud-arm64 #1 SMP Debian 6.1.115-1 (2024-11-01) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-27-cloud-arm64 #1 SMP Debian 6.1.115-1 (2024-11-01) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/157188/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/3651694/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -179,7 +211,7 @@ Get: 63 http://deb.debian.org/debian unstable/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB] Get: 64 http://deb.debian.org/debian unstable/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB] Get: 65 http://deb.debian.org/debian unstable/main arm64 pkg-config arm64 1.8.1-4 [14.0 kB] -Fetched 56.8 MB in 1s (79.4 MB/s) +Fetched 56.8 MB in 0s (154 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libproc2-0:arm64. (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 ... 20086 files and directories currently installed.) @@ -461,7 +493,11 @@ fakeroot is already the newest version (1.36-1). 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/3651694/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/3651694/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 @@ -546,22 +582,22 @@ make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu' -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +[ 9%] 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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_walltime.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_precision.mod CMakeFiles/libgridxc-lib.dir/gridxc_precision.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_config.mod CMakeFiles/libgridxc-lib.dir/gridxc_config.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/precision.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_walltime.mod CMakeFiles/libgridxc-lib.dir/gridxc_walltime.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o.provides.build -[ 11%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o +[ 13%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o [ 13%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o [ 15%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/cellsubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o @@ -570,44 +606,44 @@ /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sys.mod CMakeFiles/libgridxc-lib.dir/gridxc_sys.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sys.F90.o.provides.build -[ 17%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o -[ 21%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/am05.F90.o -[ 21%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o -[ 23%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/array.F90.o -[ 25%] 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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +[ 17%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o +[ 19%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/array.F90.o +[ 23%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o +[ 23%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/am05.F90.o +[ 25%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o [ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o -[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/am05.F90 -o CMakeFiles/libgridxc-lib.dir/src/am05.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/array.F90 -o CMakeFiles/libgridxc-lib.dir/src/array.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 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 touch CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sorting.mod CMakeFiles/libgridxc-lib.dir/gridxc_sorting.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU [ 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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 touch CMakeFiles/libgridxc-lib.dir/src/am05.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_lda.mod CMakeFiles/libgridxc-lib.dir/gridxc_lda.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o.provides.build [ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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_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_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_interpolation.mod CMakeFiles/libgridxc-lib.dir/gridxc_interpolation.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU [ 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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 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 @@ -618,11 +654,11 @@ /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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_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 -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU +[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o [ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o -[ 41%] 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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 @@ -640,10 +676,10 @@ /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 -[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o [ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +[ 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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build [ 50%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o @@ -675,8 +711,8 @@ [ 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-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 -[ 64%] Linking Fortran static library libgridxc.a /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 cmake_link_script CMakeFiles/libgridxc-lib.dir/link.txt --verbose=1 /usr/bin/ar qc libgridxc.a "CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/am05.F90.o" "CMakeFiles/libgridxc-lib.dir/src/array.F90.o" "CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o" "CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o" "CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o" "CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/precision.F90.o" "CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sys.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o" @@ -696,12 +732,12 @@ 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-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' @@ -710,117 +746,117 @@ cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Scanning dependencies of target libgridxc-test2 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". +Scanning dependencies of target libgridxc-test2 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". Scanning dependencies of target libgridxc-test3 -Scanning dependencies of target libgridxc-test6 Scanning dependencies of target libgridxc-test_libxc Scanning dependencies of target libgridxc-test1 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". Scanning dependencies of target libgridxc-test4 -Scanning dependencies of target libgridxc-test_libxc2 +Scanning dependencies of target libgridxc-test6 Scanning dependencies of target libgridxc-test_match +Scanning dependencies of target libgridxc-test_libxc2 +Scanning dependencies of target libgridxc-test_hse06 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build 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-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". 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-aarch64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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 -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-aarch64-linux-gnu' -Scanning dependencies of target libgridxc-test_hse06 +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-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu' +[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o [ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o +[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 [ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o [ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 [ 78%] Building Fortran object Testers/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-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 -cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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_match -cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 -[ 86%] Linking Fortran executable libgridxc-test_hse06 +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -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 +[ 84%] Linking Fortran executable libgridxc-test_hse06 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 -[ 88%] Linking Fortran executable libgridxc-test_libxc -cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 -[ 90%] Linking Fortran executable libgridxc-test_libxc2 +[ 86%] Linking Fortran executable libgridxc-test_match +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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_libxc2 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 +[ 90%] Linking Fortran executable libgridxc-test_libxc +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 [ 92%] Linking Fortran executable libgridxc-test2 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 [ 94%] Linking Fortran executable libgridxc-test6 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file,CMakeFiles/libgridxc-test_hse06.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -[ 94%] Built target libgridxc-test_libxc /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 -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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 -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +/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 -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' [ 94%] Built target libgridxc-test_hse06 [ 94%] Built target libgridxc-test_match +[ 94%] Built target libgridxc-test_libxc +[ 94%] Built target libgridxc-test_libxc2 /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 -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -/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 -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' [ 94%] Built target libgridxc-test2 -[ 94%] Built target libgridxc-test_libxc2 -[ 96%] Linking Fortran executable libgridxc-test4 -cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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 -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -[ 96%] Built target libgridxc-test6 +[ 94%] Built target libgridxc-test6 +[ 96%] Linking Fortran executable libgridxc-test4 +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 [ 98%] Linking Fortran executable libgridxc-test1 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-test4.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +[ 98%] Built target libgridxc-test4 [100%] Linking Fortran executable libgridxc-test3 cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 -[100%] Built target libgridxc-test4 /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 -mbranch-protection=standard -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/aarch64-linux-gnu/libxcf03.so /usr/lib/aarch64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' [100%] Built target libgridxc-test1 @@ -1734,7 +1770,6 @@ 6: 1 2.200 0.026004187 -0.834328425 -0.834328424 -0.000000001 6: 1 2.400 0.023179251 -0.806073217 -0.806073222 0.000000005 6: 1 2.600 0.020455616 -0.776561113 -0.776561115 0.000000002 -6: 1 2.800 0.017872394 -0.746026275 -0.746026276 0.000000001 7: dr, rMax = 0.200000 20.000000 7: iSpin r dens Vxc dExc/dDens diff 7: 1 0.000 0.047620227 -0.980238765 @@ -1744,7 +1779,76 @@ 7: 1 0.800 0.043959010 -0.975102121 -0.975102127 0.000000006 7: 1 1.000 0.042024703 -0.956001234 -0.956001237 0.000000003 7: 1 1.200 0.039775757 -0.943081485 -0.943081483 -0.000000002 -7: 1 1.400 0.037272568 -0.921422546 -0.921422534 -0.000000012 +8: Ex, Ec: -4.3915197423832728 -0.63516421031255044 +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 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-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: -4.3915185633273710 -0.63516344579004436 -8: -1.00270 -1.00104 -0.99606 -0.98881 -0.97797 -0.96486 -8: -0.94869 -0.93017 -0.90922 -0.88613 -0.86109 -0.83433 -8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051 -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 PBE 0 2 Ex -0.254597326 0.442015023 0.696612349 2 1: GGA PBE 0 3 Ex 0.058648797 0.567879039 0.509230242 2 1: GGA PBE 0 4 Ex 0.016268297 -0.762055139 0.778323436 2 @@ -2132,6 +2126,43 @@ 1: GGA B88 0 3 Ex 0.035804418 1.216463855 1.180659437 2 1: GGA B88 0 4 Ex 0.009931609 -2.941783167 2.951714776 2 1: GGA C09 0 1 Ex -0.193827709 -1.145525696 0.951697987 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 +1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec 1: GGA C09 0 2 Ex -0.278218742 0.673479219 0.951697961 2 1: GGA C09 0 3 Ex 0.100205973 0.818415585 0.718209612 2 1: GGA C09 0 4 Ex 0.027795635 -1.116682820 1.144478455 2 @@ -2170,13 +2201,6 @@ 1: GGA LYP 0 4 Ex 0.026093238 -0.164990360 0.191083599 2 1: GGA LYP 0 4 Ec 0.010970191 -0.035575450 0.046545641 2 1: GGA WC 0 1 Ex -0.847233200 -0.840378707 0.006854493 2 -6: 1 3.400 0.011226266 -0.650510776 -0.650510773 -0.000000003 -6: 1 3.600 0.009423960 -0.618021733 -0.618021731 -0.000000001 -6: 1 3.800 0.007832284 -0.585445444 -0.585445442 -0.000000001 -7: 1 1.600 0.034579382 -0.899005838 -0.899005853 0.000000014 -7: 1 1.800 0.031761587 -0.874045663 -0.874045663 -0.000000001 -7: 1 2.000 0.028883127 -0.847548881 -0.847548880 -0.000000001 -7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 1: GGA WC 0 2 Ex -0.813579879 -0.820434372 0.006854492 2 1: GGA WC 0 3 Ex 0.018641371 0.055164860 0.036523488 2 1: GGA WC 0 4 Ex 0.007566221 -0.067175217 0.074741438 2 @@ -2202,7 +2226,6 @@ 1: GGA PBESOL 0 4 Ex 0.004628013 -0.070589374 0.075217387 2 1: GGA AM05 0 1 Ex -0.769725783 -0.762130340 0.007595443 2 1: GGA AM05 0 1 Ec -0.055638723 -0.055761491 0.000122767 2 -6: 1 4.000 0.006444664 -0.552823710 -0.552823709 -0.000000001 1: GGA AM05 0 2 Ex -0.577227642 -0.584823085 0.007595443 2 1: GGA AM05 0 2 Ec -0.103081638 -0.102958871 0.000122767 2 1: GGA AM05 0 3 Ex 0.106629280 0.156286337 0.049657057 2 @@ -2224,7 +2247,6 @@ 1: GGA BH 0 1 Ex -0.785994404 -0.776770198 0.009224205 2 1: GGA BH 0 2 Ex -0.783073213 -0.792297417 0.009224204 2 1: GGA BH 0 3 Ex 0.001618117 0.054853183 0.053235067 2 -7: 1 2.400 0.023179251 -0.789580695 -0.789580695 0.000000000 1: GGA BH 0 4 Ex 0.000656767 -0.109987983 0.110644750 2 1: 1: iSpin dens gradDens @@ -2234,7 +2256,6 @@ 1: 4 0.098572619 1.287666699 0.594205297 0.527799481 1: GGA PW91 0 1 Ex -0.276399047 -0.347230050 0.070831003 2 1: GGA PW91 0 2 Ex -0.557771408 -0.486940374 0.070831034 2 -6: 1 4.200 0.005250115 -0.520082870 -0.520082869 -0.000000001 1: GGA PW91 0 3 Ex -0.109780436 -0.043736692 0.066043744 2 1: GGA PW91 0 4 Ex -0.273552008 -0.336484310 0.062932302 2 1: GGA PBE 0 1 Ex -0.622324831 -0.689098162 0.066773331 2 @@ -2259,10 +2280,8 @@ 1: GGA LYP 0 4 Ec 0.225314873 0.067744002 0.157570871 2 1: GGA WC 0 1 Ex -0.603434592 -0.671343346 0.067908754 2 1: GGA WC 0 2 Ex -0.664515247 -0.596606462 0.067908785 2 -6: 1 4.400 0.004234421 -0.487004137 -0.487004139 0.000000002 1: GGA WC 0 3 Ex -0.023831271 0.034982032 0.058813303 2 1: GGA WC 0 4 Ex -0.059383003 -0.117910727 0.058527724 2 -7: 1 2.600 0.020455616 -0.758088403 -0.758088402 -0.000000001 1: GGA PBEJsJrLO 0 1 Ex -0.609783107 -0.673020089 0.063236983 2 1: GGA PBEJsJrLO 0 2 Ex -0.679854633 -0.616617619 0.063237014 2 1: GGA PBEJsJrLO 0 3 Ex -0.027339155 0.027425762 0.054764918 2 @@ -2279,8 +2298,15 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.678408306 -0.633508405 0.044899902 2 1: GGA PBEGcGxHEG 0 3 Ex -0.045176216 -0.006261541 0.038914675 2 1: GGA PBEGcGxHEG 0 4 Ex -0.112570554 -0.151279335 0.038708781 2 -6: 1 4.600 0.003381238 -0.453240679 -0.453240680 0.000000001 1: GGA PBESOL 0 1 Ex -0.605405491 -0.665104568 0.059699077 2 +2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.01 sec +6: 1 2.800 0.017872394 -0.746026275 -0.746026276 0.000000001 +6: 1 3.000 0.015460016 -0.714697437 -0.714697437 0.000000000 +6: 1 3.200 0.013240188 -0.682792452 -0.682792453 0.000000001 +6: 1 3.400 0.011226266 -0.650510776 -0.650510773 -0.000000003 +7: 1 1.400 0.037272568 -0.921422546 -0.921422534 -0.000000012 +7: 1 1.600 0.034579382 -0.899005838 -0.899005853 0.000000014 +7: 1 1.800 0.031761587 -0.874045663 -0.874045663 -0.000000001 1: GGA PBESOL 0 2 Ex -0.670457583 -0.610758475 0.059699108 2 1: GGA PBESOL 0 3 Ex -0.025380769 0.026256150 0.051636920 2 1: GGA PBESOL 0 4 Ex -0.063244059 -0.114669608 0.051425548 2 @@ -2294,7 +2320,6 @@ 1: GGA AM05 0 4 Ec 0.040343972 0.040684154 0.000340182 2 1: GGA PW86 0 1 Ex -0.706663540 -0.778927683 0.072264143 2 1: GGA PW86 0 2 Ex -0.766255431 -0.693991253 0.072264178 2 -7: 1 2.800 0.017872394 -0.725194479 -0.725194482 0.000000003 1: GGA PW86 0 3 Ex -0.023250414 0.008601684 0.031852098 2 1: GGA PW86 0 4 Ex -0.057935617 -0.107883367 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0.060780638 2 1: GGA B88 0 1 Ex -0.284603582 -0.261880259 0.022723324 2 1: GGA B88 0 2 Ex -0.295943875 -0.318667239 0.022723364 2 @@ -4924,9 +4874,11 @@ 1: GGA PBE 0 1 Ex -1.274692518 -1.395555779 0.120863260 2 1: GGA PBE 0 2 Ex -1.154555467 -1.033692203 0.120863264 2 1: GGA PBE 0 3 Ex -0.013774326 -0.093033280 0.079258955 2 +7: 1 9.000 0.000001902 -0.049506694 -0.049507029 0.000000335 1: GGA PBE 0 4 Ex -0.054957256 0.097012111 0.151969367 2 1: GGA RPBE 0 1 Ex -1.259742281 -1.402860475 0.143118195 2 1: GGA RPBE 0 2 Ex -1.130687950 -0.987569752 0.143118198 2 +6: 2 5.600 0.000629844 -0.256619554 -0.256619555 0.000000000 1: GGA RPBE 0 3 Ex -0.014796737 -0.108582817 0.093786080 2 1: GGA RPBE 0 4 Ex -0.059036508 0.120898637 0.179935145 2 1: GGA revPBE 0 1 Ex -1.263991282 -1.400896565 0.136905283 2 @@ -4953,6 +4905,7 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.185098097 -1.101893291 0.083204806 2 1: GGA PBEJsJrHEG 0 3 Ex -0.013357375 -0.067921218 0.054563843 2 1: GGA PBEJsJrHEG 0 4 Ex -0.053293691 0.051325301 0.104618992 2 +6: 2 5.800 0.000473640 -0.232083909 -0.232083909 -0.000000000 1: GGA PBEGcGxLO 0 1 Ex -1.304935024 -1.384291930 0.079356906 2 1: GGA PBEGcGxLO 0 2 Ex -1.185211952 -1.105855043 0.079356909 2 1: GGA PBEGcGxLO 0 3 Ex -0.013726861 -0.065731946 0.052005086 2 @@ -4979,11 +4932,13 @@ 1: GGA PW86 0 4 Ex -0.047117119 0.130157973 0.177275092 2 1: GGA B88 0 1 Ex -1.281736673 -1.399946910 0.118210236 2 1: GGA B88 0 2 Ex -1.163830838 -1.045620599 0.118210240 2 +6: 2 6.000 0.000352629 -0.212182116 -0.212182116 -0.000000000 1: GGA B88 0 3 Ex -0.013518505 -0.091062315 0.077543809 2 1: GGA B88 0 4 Ex -0.053936576 0.094703144 0.148639720 2 1: GGA C09 0 1 Ex -1.312905941 -1.382148518 0.069242577 2 1: GGA C09 0 2 Ex -1.191532120 -1.122289540 0.069242580 2 1: GGA C09 0 3 Ex -0.013916128 -0.059263024 0.045346897 2 +7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 1: GGA C09 0 4 Ex -0.055523022 0.031525085 0.087048107 2 1: GGA BH 0 1 Ex -1.309761082 -1.384035342 0.074274260 2 1: GGA BH 0 2 Ex -1.186564553 -1.112290290 0.074274263 2 @@ -5008,6 +4963,7 @@ 1: GGA RPBE 0 3 Ex -0.009692300 -0.316594346 0.306902047 2 1: GGA RPBE 0 4 Ex 0.032363333 -0.173427863 0.205791196 2 1: GGA revPBE 0 1 Ex -0.714033071 -1.184031266 0.469998195 2 +6: 2 6.200 0.000259921 -0.196433380 -0.196433380 0.000000000 1: GGA revPBE 0 2 Ex -0.691596375 -0.221598162 0.469998214 2 1: GGA revPBE 0 3 Ex -0.014384430 -0.330487434 0.316103003 2 1: GGA revPBE 0 4 Ex 0.048030718 -0.156412698 0.204443416 2 @@ -5033,6 +4989,7 @@ 1: GGA PBEJsJrHEG 0 4 Ex 0.045079306 -0.055137184 0.100216490 2 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 +6: 2 6.400 0.000189678 -0.183672030 -0.183672030 -0.000000000 1: GGA PBEGcGxLO 0 3 Ex -0.019407479 -0.219401609 0.199994131 2 1: GGA PBEGcGxLO 0 4 Ex 0.064803061 -0.061114454 0.125917515 2 1: GGA PBEGcGxHEG 0 1 Ex -0.777707312 -1.009837192 0.232129880 2 @@ -5043,6 +5000,7 @@ 1: GGA PBESOL 0 2 Ex -0.719660210 -0.436988650 0.282671560 2 1: GGA PBESOL 0 3 Ex -0.019407479 -0.219401609 0.199994131 2 1: GGA PBESOL 0 4 Ex 0.064803061 -0.061114454 0.125917515 2 +7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 1: GGA AM05 0 1 Ex -0.724512780 -0.927869133 0.203356353 2 1: GGA AM05 0 1 Ec -0.065999373 -0.059829578 0.006169795 2 1: GGA AM05 0 2 Ex -0.680004654 -0.476648301 0.203356353 2 @@ -5059,6 +5017,7 @@ 1: GGA B88 0 2 Ex -0.695731368 -0.282374964 0.413356404 2 1: GGA B88 0 3 Ex -0.022247160 -0.332945973 0.310698812 2 1: GGA B88 0 4 Ex 0.074284977 -0.115310364 0.189595341 2 +6: 2 6.600 0.000137039 -0.172541723 -0.172541726 0.000000003 1: GGA C09 0 1 Ex -0.700381174 -1.015288351 0.314907177 2 1: GGA C09 0 2 Ex -0.649691629 -0.334784436 0.314907193 2 1: GGA C09 0 3 Ex -0.032497666 -0.331439322 0.298941656 2 @@ -5089,6 +5048,7 @@ 1: GGA revPBE 0 2 Ex -0.766904457 -0.849513245 0.082608788 2 1: GGA revPBE 0 3 Ex -0.091408544 -0.090887766 0.000520777 2 1: GGA revPBE 0 4 Ex -0.009161385 -0.075806110 0.066644725 2 +6: 2 6.800 0.000098022 -0.161917868 -0.161917872 0.000000004 1: GGA LYP 0 1 Ex -0.714189180 -0.659700194 0.054488986 2 1: GGA LYP 0 1 Ec -0.745679568 -0.628876485 0.116803083 2 1: GGA LYP 0 2 Ex -0.713901997 -0.768390983 0.054488986 2 @@ -5111,9 +5071,11 @@ 1: GGA PBEJsJrHEG 0 4 Ex 0.007995584 -0.026535014 0.034530598 2 1: GGA PBEGcGxLO 0 1 Ex -0.709464318 -0.659509815 0.049954503 2 1: GGA PBEGcGxLO 0 2 Ex -0.711554197 -0.761508688 0.049954491 2 +7: 1 9.600 0.000000470 -0.034934582 -0.034936830 0.000002248 1: GGA PBEGcGxLO 0 3 Ex 0.014016237 0.014332207 0.000315970 2 1: GGA PBEGcGxLO 0 4 Ex 0.001404772 -0.038906554 0.040311326 2 1: GGA PBEGcGxHEG 0 1 Ex -0.672907041 -0.632636851 0.040270190 2 +6: 2 7.000 0.000069415 -0.151110560 -0.151110563 0.000000003 1: GGA PBEGcGxHEG 0 2 Ex -0.684244082 -0.724514260 0.040270178 2 1: GGA PBEGcGxHEG 0 3 Ex 0.076034364 0.076287164 0.000252799 2 1: GGA PBEGcGxHEG 0 4 Ex 0.007620514 -0.024856845 0.032477359 2 @@ -5140,6 +5102,7 @@ 1: GGA C09 0 1 Ex -0.785330258 -0.729031197 0.056299061 2 1: GGA C09 0 2 Ex -0.770881198 -0.827180248 0.056299050 2 1: GGA C09 0 3 Ex -0.096905803 -0.096556190 0.000349613 2 +6: 2 7.200 0.000048666 -0.139861549 -0.139861554 0.000000005 1: GGA C09 0 4 Ex -0.009712346 -0.055078755 0.045366409 2 1: GGA BH 0 1 Ex -0.735527560 -0.670819033 0.064708528 2 1: GGA BH 0 2 Ex -0.721882842 -0.786591358 0.064708516 2 @@ -5167,10 +5130,12 @@ 1: GGA revPBE 0 2 Ex -0.904651480 1.671196976 2.575848456 2 1: GGA revPBE 0 3 Ex 0.024654380 -1.514345922 1.539000302 2 1: GGA revPBE 0 4 Ex -0.031123203 2.618526239 2.649649442 2 +6: 2 7.400 0.000033779 -0.128226737 -0.128226744 0.000000006 1: GGA LYP 0 1 Ex -0.745512341 -4.423523267 3.678010926 2 1: GGA LYP 0 1 Ec -0.194810371 0.315311267 0.510121638 2 1: GGA LYP 0 2 Ex -0.749911503 2.928099424 3.678010927 2 1: GGA LYP 0 2 Ec -0.118532943 -0.628654582 0.510121638 2 +7: 1 9.800 0.000000289 -0.031858263 -0.031860487 0.000002224 1: GGA LYP 0 3 Ex -0.001160103 -2.670384593 2.669224490 2 1: GGA LYP 0 3 Ec 0.020115121 0.637142707 0.617027586 2 1: GGA LYP 0 4 Ex 0.001464491 3.411186256 3.409721764 2 @@ -5190,6 +5155,7 @@ 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 1: GGA PBEGcGxLO 0 3 Ex 0.012602426 -1.028457735 1.041060161 2 +6: 2 7.600 0.000023212 -0.116433222 -0.116433230 0.000000007 1: GGA PBEGcGxLO 0 4 Ex -0.015909054 1.717210788 1.733119843 2 1: GGA PBEGcGxHEG 0 1 Ex -0.936724054 -2.011278780 1.074554726 2 1: GGA PBEGcGxHEG 0 2 Ex -0.903282179 0.171272545 1.074554724 2 @@ -5215,6 +5181,7 @@ 1: GGA B88 0 2 Ex -0.749558080 2.927581975 3.677140055 2 1: GGA B88 0 3 Ex -0.001157463 -2.669774149 2.668616685 2 1: GGA B88 0 4 Ex 0.001461159 3.410356313 3.408895154 2 +6: 2 7.800 0.000015792 -0.104762753 -0.104762762 0.000000009 1: GGA C09 0 1 Ex -0.644834650 -4.233523433 3.588688783 2 1: GGA C09 0 2 Ex -0.624336394 2.964352388 3.588688782 2 1: GGA C09 0 3 Ex 0.005405595 -2.534258578 2.539664173 2 @@ -5230,6 +5197,7 @@ 1: 3 0.147611514 1.496084458 0.970725659 1.005706910 1: 4 0.008254080 -0.791391110 0.713776924 0.226603139 1: GGA PW91 0 1 Ex -0.671184559 -0.577949784 0.093234775 2 +7: 1 10.000 0.000000176 -0.029267821 -0.029269964 0.000002144 1: GGA PW91 0 2 Ex -0.154150782 -0.247385591 0.093234808 2 1: GGA PW91 0 3 Ex -0.319526477 -0.395101876 0.075575399 2 1: GGA PW91 0 4 Ex -0.017867151 -0.015316494 0.002550658 2 @@ -5243,6 +5211,7 @@ 1: GGA RPBE 0 4 Ex -0.008575930 -0.005251314 0.003324615 2 1: GGA revPBE 0 1 Ex -0.720975416 -0.605999827 0.114975589 2 1: GGA revPBE 0 2 Ex -0.523072162 -0.638047785 0.114975622 2 +6: 2 8.000 0.000010636 -0.093477793 -0.093477805 0.000000012 1: GGA revPBE 0 3 Ex -0.122304059 -0.215502682 0.093198623 2 1: GGA revPBE 0 4 Ex -0.006838949 -0.003688354 0.003150594 2 1: GGA LYP 0 1 Ex -0.854778271 -0.729358797 0.125419474 2 @@ -5269,6 +5238,7 @@ 1: GGA PBEGcGxLO 0 2 Ex -0.457783415 -0.525215460 0.067432045 2 1: GGA PBEGcGxLO 0 3 Ex -0.176559560 -0.231219609 0.054660049 2 1: GGA PBEGcGxLO 0 4 Ex -0.009872786 -0.008024996 0.001847789 2 +6: 2 8.200 0.000007092 -0.082785576 -0.082785590 0.000000014 1: GGA PBEGcGxHEG 0 1 Ex -0.745807745 -0.686383326 0.059424419 2 1: GGA PBEGcGxHEG 0 2 Ex -0.418096195 -0.477520645 0.059424450 2 1: GGA PBEGcGxHEG 0 3 Ex -0.202525486 -0.250694613 0.048169127 2 @@ -5281,6 +5251,7 @@ 1: GGA AM05 0 1 Ec -0.064109018 -0.065394808 0.001285790 2 1: GGA AM05 0 2 Ex -0.868216805 -0.923347089 0.055130283 2 1: GGA AM05 0 2 Ec -0.159084148 -0.157798358 0.001285790 2 +7: 1 10.200 0.000000106 -0.027039672 -0.027041720 0.000002048 1: GGA AM05 0 3 Ex 0.016045981 -0.029514161 0.045560142 2 1: GGA AM05 0 3 Ec 0.058694558 0.059736812 0.001042255 2 1: GGA AM05 0 4 Ex 0.000897253 0.017999155 0.017101903 2 @@ -5292,6 +5263,7 @@ 1: GGA B88 0 1 Ex -0.854451775 -0.729059570 0.125392205 2 1: GGA B88 0 2 Ex -0.986942457 -1.112334709 0.125392251 2 1: GGA B88 0 3 Ex 0.081879140 -0.021261480 0.103140620 2 +6: 2 8.400 0.000004681 -0.072828254 -0.072828269 0.000000016 1: GGA B88 0 4 Ex 0.004578484 0.034810105 0.030231621 2 1: GGA C09 0 1 Ex -0.755880338 -0.692853942 0.063026396 2 1: GGA C09 0 2 Ex -0.531134880 -0.594161307 0.063026427 2 @@ -5320,6 +5292,7 @@ 1: GGA RPBE 0 3 Ex 0.065559446 0.051253237 0.014306210 2 1: GGA RPBE 0 4 Ex 0.006254600 -0.192875884 0.199130484 2 1: GGA revPBE 0 1 Ex -0.891008443 -1.027454215 0.136445771 2 +6: 2 8.600 0.000003059 -0.063687629 -0.063687643 0.000000014 1: GGA revPBE 0 2 Ex -0.815179217 -0.678733440 0.136445777 2 1: GGA revPBE 0 3 Ex 0.080081032 0.039285508 0.040795524 2 1: GGA revPBE 0 4 Ex 0.007640010 -0.241880100 0.249520110 2 @@ -5340,11 +5313,12 @@ 1: GGA PBEJsJrLO 0 3 Ex 0.040273240 0.014604626 0.025668613 2 1: GGA PBEJsJrLO 0 4 Ex 0.003842208 -0.156374764 0.160216971 2 1: GGA PBEJsJrHEG 0 1 Ex -0.784742586 -0.836318304 0.051575718 2 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.09 sec 1: GGA PBEJsJrHEG 0 2 Ex -0.772452316 -0.720876595 0.051575722 2 1: GGA PBEJsJrHEG 0 3 Ex 0.012979395 -0.001757033 0.014736429 2 +7: 1 10.400 0.000000063 -0.025092806 -0.025094748 0.000001941 1: GGA PBEJsJrHEG 0 4 Ex 0.001238280 -0.100248653 0.101486933 2 1: GGA PBEGcGxLO 0 1 Ex -0.767811317 -0.858877138 0.091065821 2 +6: 2 8.800 0.000001979 -0.055396187 -0.055396188 0.000000002 1: GGA PBEGcGxLO 0 2 Ex -0.729011932 -0.637946107 0.091065826 2 1: GGA PBEGcGxLO 0 3 Ex 0.040974897 0.013285012 0.027689885 2 1: GGA PBEGcGxLO 0 4 Ex 0.003909148 -0.157777399 0.161686547 2 @@ -5408,6 +5382,7 @@ 1: GGA LYP 0 2 Ec -0.234213765 -0.245819368 0.011605603 2 1: GGA LYP 0 3 Ex -0.074230566 -0.115412628 0.041182062 2 1: GGA LYP 0 3 Ec 0.046169685 0.048155812 0.001986127 2 +6: 2 9.000 0.000001268 -0.047949450 -0.047949418 -0.000000032 1: GGA LYP 0 4 Ex -0.099194328 0.030430890 0.129625218 2 1: GGA LYP 0 4 Ec 0.061696565 0.045462919 0.016233645 2 1: GGA WC 0 1 Ex -1.083864842 -1.102777314 0.018912471 2 @@ -5420,6 +5395,8 @@ 1: GGA PBEJsJrLO 0 4 Ex -0.012920347 0.022929124 0.035849471 2 1: GGA PBEJsJrHEG 0 1 Ex -1.058875308 -1.075609310 0.016734002 2 1: GGA PBEJsJrHEG 0 2 Ex -0.951340538 -0.934606527 0.016734010 2 +6: 2 9.200 0.000000804 -0.041317198 -0.041317116 -0.000000082 +7: 1 10.600 0.000000037 -0.023372816 -0.023374647 0.000001831 1: GGA PBEJsJrHEG 0 3 Ex -0.031664188 -0.043341941 0.011677754 2 1: GGA PBEJsJrHEG 0 4 Ex -0.042312864 -0.012309928 0.030002936 2 1: GGA PBEGcGxLO 0 1 Ex -1.069012524 -1.087497310 0.018484786 2 @@ -5442,6 +5419,7 @@ 1: GGA AM05 0 3 Ec 0.013275793 0.013778390 0.000502597 2 1: GGA AM05 0 4 Ex -0.143411779 -0.071648598 0.071763181 2 1: GGA AM05 0 4 Ec 0.017740446 0.016488513 0.001251933 2 +6: 2 9.400 0.000000504 -0.035452601 -0.035452510 -0.000000091 1: GGA PW86 0 1 Ex -1.005894578 -1.054491085 0.048596507 2 1: GGA PW86 0 2 Ex -0.927355440 -0.878758922 0.048596518 2 1: GGA PW86 0 3 Ex -0.023126269 -0.052665465 0.029539197 2 @@ -5465,13 +5443,11 @@ 1: 3 -0.194106325 1.647997807 -2.876832348 -0.137808494 1: 4 0.167814576 2.281911055 -2.285886707 4.451463199 1: GGA PW91 0 1 Ex -1.259076849 -1.312558718 0.053481869 2 -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 1: GGA PW91 0 2 Ex -1.181609040 -1.128127180 0.053481860 2 1: GGA PW91 0 3 Ex -0.065923363 -0.050634848 0.015288515 2 +7: 1 10.800 0.000000022 -0.021841709 -0.021843448 0.000001740 1: GGA PW91 0 4 Ex 0.056994027 0.038330864 0.018663163 2 +6: 2 9.600 0.000000313 -0.030299188 -0.030299098 -0.000000089 1: GGA PBE 0 1 Ex -1.066077282 -1.108841406 0.042764124 2 1: GGA PBE 0 2 Ex -1.101462401 -1.058698287 0.042764114 2 1: GGA PBE 0 3 Ex 0.030111940 -0.025282677 0.055394617 2 @@ -5496,6 +5472,7 @@ 1: GGA WC 0 2 Ex -1.091086860 -1.048955336 0.042131523 2 1: GGA WC 0 3 Ex 0.042360987 -0.018888647 0.061249634 2 1: GGA WC 0 4 Ex -0.036623181 -0.136101993 0.099478812 2 +6: 2 9.800 0.000000193 -0.025795893 -0.025795813 -0.000000081 1: GGA PBEJsJrLO 0 1 Ex -1.012597238 -1.042618796 0.030021559 2 1: GGA PBEJsJrLO 0 2 Ex -1.079855353 -1.049833804 0.030021549 2 1: GGA PBEJsJrLO 0 3 Ex 0.057235143 -0.004505228 0.061740372 2 @@ -5514,17 +5491,18 @@ 1: GGA PBEGcGxHEG 0 4 Ex -0.064341891 -0.127368763 0.063026872 2 1: GGA PBESOL 0 1 Ex -0.981394895 -1.006201469 0.024806574 2 1: GGA PBESOL 0 2 Ex -1.067081475 -1.042274910 0.024806565 2 +6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA PBESOL 0 3 Ex 0.072917352 0.007303858 0.065613494 2 1: GGA PBESOL 0 4 Ex -0.063040679 -0.155792770 0.092752092 2 1: GGA AM05 0 1 Ex -0.760583717 -0.763246094 0.002662377 2 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: 1 11.000 0.000000013 -0.020471625 -0.020473272 0.000001646 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 1: GGA AM05 0 4 Ec 0.014401978 0.021580613 0.007178635 2 -7: 2 8.400 0.000004681 -0.075347142 -0.075346958 -0.000000184 1: GGA PW86 0 1 Ex -0.975227730 -1.001037390 0.025809660 2 1: GGA PW86 0 2 Ex -1.064167959 -1.038358309 0.025809650 2 1: GGA PW86 0 3 Ex 0.075686134 -0.025985974 0.101672108 2 @@ -5539,6 +5517,7 @@ 1: GGA C09 0 4 Ex -0.109881516 -0.306564197 0.196682681 2 1: GGA BH 0 1 Ex -0.995073230 -1.015009729 0.019936499 2 1: GGA BH 0 2 Ex -1.073270069 -1.053333581 0.019936489 2 +6: 2 10.200 0.000000071 -0.018492378 -0.018492313 -0.000000065 1: GGA BH 0 3 Ex 0.066543751 -0.030411126 0.096954877 2 1: GGA BH 0 4 Ex -0.057530384 -0.183224387 0.125694004 2 1: @@ -5560,8 +5539,8 @@ 1: GGA RPBE 0 3 Ex -0.015250844 -0.183524393 0.168273549 2 1: GGA RPBE 0 4 Ex 0.038643924 -0.137866993 0.176510917 2 1: GGA revPBE 0 1 Ex -1.539879593 -1.594952095 0.055072502 2 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000077 1: GGA revPBE 0 2 Ex -1.643311183 -1.588238660 0.055072524 2 +6: 2 10.400 0.000000042 -0.015573224 -0.015573159 -0.000000065 1: GGA revPBE 0 3 Ex 0.008233938 -0.223927207 0.232161145 2 1: GGA revPBE 0 4 Ex -0.020863873 -0.248995984 0.228132111 2 1: GGA LYP 0 1 Ex -1.127488867 -1.196682084 0.069193217 2 @@ -5577,12 +5556,14 @@ 1: GGA WC 0 3 Ex 0.014899550 -0.161625892 0.176525442 2 1: GGA WC 0 4 Ex -0.037753786 -0.214523622 0.176769836 2 1: GGA PBEJsJrLO 0 1 Ex -1.449378033 -1.486148993 0.036770961 2 +7: 1 11.200 0.000000007 -0.019241059 -0.019242615 0.000001555 1: GGA PBEJsJrLO 0 2 Ex -1.658751810 -1.621980830 0.036770981 2 1: GGA PBEJsJrLO 0 3 Ex 0.016667738 -0.136628682 0.153296420 2 1: GGA PBEJsJrLO 0 4 Ex -0.042234176 -0.193877804 0.151643628 2 1: GGA PBEJsJrHEG 0 1 Ex -1.467413403 -1.498488684 0.031075281 2 1: GGA PBEJsJrHEG 0 2 Ex -1.661492755 -1.630417455 0.031075300 2 1: GGA PBEJsJrHEG 0 3 Ex 0.015450186 -0.106291570 0.121741756 2 +6: 2 10.600 0.000000025 -0.013068736 -0.013068676 -0.000000060 1: GGA PBEJsJrHEG 0 4 Ex -0.039149036 -0.164221576 0.125072540 2 1: GGA PBEGcGxLO 0 1 Ex -1.380485170 -1.413704984 0.033219814 2 1: GGA PBEGcGxLO 0 2 Ex -1.662854641 -1.629634807 0.033219834 2 @@ -5590,7 +5571,6 @@ 1: GGA PBEGcGxLO 0 4 Ex -0.056958623 -0.195871655 0.138913033 2 1: GGA PBEGcGxHEG 0 1 Ex -1.418965545 -1.446639181 0.027673636 2 1: GGA PBEGcGxHEG 0 2 Ex -1.665853152 -1.638179498 0.027673654 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA PBEGcGxHEG 0 3 Ex 0.019654123 -0.092401290 0.112055414 2 1: GGA PBEGcGxHEG 0 4 Ex -0.049801340 -0.162619418 0.112818078 2 1: GGA PBESOL 0 1 Ex -1.380485170 -1.413704984 0.033219814 2 @@ -5603,6 +5583,7 @@ 1: GGA AM05 0 2 Ec -0.074567902 -0.076971418 0.002403516 2 1: GGA AM05 0 3 Ex 0.053114455 -0.081212217 0.134326672 2 1: GGA AM05 0 3 Ec -0.002565653 0.005598527 0.008164180 2 +6: 2 10.800 0.000000015 -0.010928714 -0.010928683 -0.000000031 1: GGA AM05 0 4 Ex -0.134586060 -0.247556116 0.112970057 2 1: GGA AM05 0 4 Ec 0.006501076 0.015680729 0.009179653 2 1: GGA PW86 0 1 Ex -1.439119728 -1.501465293 0.062345565 2 @@ -5629,9 +5610,10 @@ 1: 4 -1.001922940 7.552258778 17.073982042 -18.620104507 1: GGA PW91 0 1 Ex -0.187175185 -0.219538132 0.032362947 2 1: GGA PW91 0 2 Ex -1.694678207 -1.662315269 0.032362937 2 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA PW91 0 3 Ex 0.303447281 0.271426679 0.032020602 2 +7: 1 11.400 0.000000004 -0.018132612 -0.018133968 0.000001356 1: GGA PW91 0 4 Ex 0.474392116 0.546295044 0.071902928 2 +6: 2 11.000 0.000000008 -0.009107337 -0.009107292 -0.000000045 1: GGA PBE 0 1 Ex -0.650269148 -0.681636630 0.031367481 2 1: GGA PBE 0 2 Ex -1.741666170 -1.710298698 0.031367472 2 1: GGA PBE 0 3 Ex 0.219688753 0.188653000 0.031035753 2 @@ -5654,13 +5636,13 @@ 1: GGA LYP 0 4 Ec -0.112306459 -0.093369665 0.018936794 2 1: GGA WC 0 1 Ex -0.652252264 -0.678875416 0.026623152 2 1: GGA WC 0 2 Ex -1.759635010 -1.733011868 0.026623142 2 +6: 2 11.200 0.000000005 -0.007563161 -0.007563174 0.000000013 1: GGA WC 0 3 Ex 0.222906541 0.196564939 0.026341602 2 1: GGA WC 0 4 Ex 0.348479331 0.407629820 0.059150489 2 1: GGA PBEJsJrLO 0 1 Ex -0.652558449 -0.675043944 0.022485495 2 1: GGA PBEJsJrLO 0 2 Ex -1.762403328 -1.739917843 0.022485485 2 1: GGA PBEJsJrLO 0 3 Ex 0.223402147 0.201154443 0.022247704 2 1: GGA PBEJsJrLO 0 4 Ex 0.349254133 0.399211704 0.049957571 2 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA PBEJsJrHEG 0 1 Ex -0.588175428 -0.609788984 0.021613556 2 1: GGA PBEJsJrHEG 0 2 Ex -1.758649642 -1.737036097 0.021613545 2 1: GGA PBEJsJrHEG 0 3 Ex 0.235606306 0.214221324 0.021384982 2 @@ -5674,6 +5656,7 @@ 1: GGA PBEGcGxHEG 0 3 Ex 0.237081043 0.219226811 0.017854232 2 1: GGA PBEGcGxHEG 0 4 Ex 0.370638937 0.410730898 0.040091961 2 1: GGA PBESOL 0 1 Ex -0.653584522 -0.672227240 0.018642718 2 +6: 2 11.400 0.000000003 -0.006258998 -0.006259024 0.000000026 1: GGA PBESOL 0 2 Ex -1.771699487 -1.753056780 0.018642707 2 1: GGA PBESOL 0 3 Ex 0.225066843 0.206621275 0.018445568 2 1: GGA PBESOL 0 4 Ex 0.351856624 0.393276432 0.041419808 2 @@ -5693,7 +5676,6 @@ 1: GGA B88 0 2 Ex -2.220580221 -2.208275432 0.012304789 2 1: GGA B88 0 3 Ex -0.551206337 -0.709105909 0.157899572 2 1: GGA B88 0 4 Ex -0.861724447 -0.741172377 0.120552069 2 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA C09 0 1 Ex -0.767918902 -0.782567970 0.014649069 2 1: GGA C09 0 2 Ex -1.793295992 -1.778646930 0.014649061 2 1: GGA C09 0 3 Ex 0.206399513 0.191905362 0.014494152 2 @@ -5711,6 +5693,9 @@ 1: GGA PW91 0 1 Ex -0.244082467 -0.283760428 0.039677961 2 1: GGA PW91 0 2 Ex -0.127211425 -0.087533488 0.039677937 2 1: GGA PW91 0 3 Ex 0.095462539 0.081105592 0.014356947 2 +7: 1 11.600 0.000000002 -0.017131679 -0.017133117 0.000001438 +6: 2 11.600 0.000000002 -0.005161710 -0.005161583 -0.000000127 +6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000268 1: GGA PW91 0 4 Ex -0.138087027 -0.131221403 0.006865624 2 1: GGA PBE 0 1 Ex -0.241253823 -0.217598267 0.023655557 2 1: GGA PBE 0 2 Ex -0.210970405 -0.234625988 0.023655582 2 @@ -5732,11 +5717,11 @@ 1: GGA LYP 0 3 Ec 0.069447901 -0.075478345 0.144926246 2 1: GGA LYP 0 4 Ex 0.025743315 0.046480565 0.020737250 2 1: GGA LYP 0 4 Ec -0.100456726 -0.261977342 0.161520616 2 -7: 2 9.600 0.000000313 -0.034608838 -0.034611089 0.000002250 1: GGA WC 0 1 Ex -0.236784287 -0.210556529 0.026227759 2 1: GGA WC 0 2 Ex -0.208608125 -0.234835910 0.026227784 2 1: GGA WC 0 3 Ex 0.023014837 0.032236502 0.009221665 2 1: GGA WC 0 4 Ex -0.033291073 -0.038014964 0.004723890 2 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.06 sec 1: GGA PBEJsJrLO 0 1 Ex -0.228849229 -0.198850831 0.029998398 2 1: GGA PBEJsJrLO 0 2 Ex -0.204636297 -0.234634719 0.029998423 2 1: GGA PBEJsJrLO 0 3 Ex 0.019777594 0.030316940 0.010539346 2 @@ -5759,7 +5744,6 @@ 1: GGA PBESOL 0 4 Ex -0.024331494 -0.030374894 0.006043400 2 1: GGA AM05 0 1 Ex -0.172696572 -0.045519842 0.127176730 2 1: GGA AM05 0 1 Ec -0.031095248 -0.031230187 0.000134939 2 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA AM05 0 2 Ex -0.189959062 -0.317135791 0.127176730 2 1: GGA AM05 0 2 Ec -0.041871538 -0.041736599 0.000134939 2 1: GGA AM05 0 3 Ex -0.014100337 0.080569033 0.094669370 2 @@ -5768,6 +5752,7 @@ 1: GGA AM05 0 4 Ec 0.012732546 0.012756859 0.000024313 2 1: GGA PW86 0 1 Ex -0.246404048 -0.175158345 0.071245703 2 1: GGA PW86 0 2 Ex -0.256694565 -0.327940296 0.071245731 2 +7: 1 11.800 0.000000001 -0.016225680 -0.016226768 0.000001088 1: GGA PW86 0 3 Ex -0.008405494 0.031427663 0.039833157 2 1: GGA PW86 0 4 Ex 0.012158589 0.009546430 0.002612159 2 1: GGA B88 0 1 Ex -0.201926947 -0.008105331 0.193821617 2 @@ -5797,7 +5782,6 @@ 1: GGA PBE 0 3 Ex -0.009325036 0.146281730 0.155606767 2 1: GGA PBE 0 4 Ex -0.024703836 -0.092935486 0.068231651 2 1: GGA RPBE 0 1 Ex -0.524522095 -0.516062051 0.008460045 2 -7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA RPBE 0 2 Ex -0.526569970 -0.535030012 0.008460043 2 1: GGA RPBE 0 3 Ex 0.000538416 0.074350901 0.073812485 2 1: GGA RPBE 0 4 Ex 0.001426369 -0.032509071 0.033935439 2 @@ -5814,6 +5798,9 @@ 1: GGA LYP 0 4 Ex -0.024052639 -0.125597445 0.101544806 2 1: GGA LYP 0 4 Ec -0.502385061 -0.748577555 0.246192494 2 1: GGA WC 0 1 Ex -0.479156472 -0.463079944 0.016076528 2 +7: iSpin r dens Vxc dExc/dDens diff +7: 2 0.000 0.031746818 -0.900701729 +7: 2 0.200 0.031588480 -0.903820205 -0.903819561 -0.000000644 1: GGA WC 0 2 Ex -0.434091247 -0.450167772 0.016076525 2 1: GGA WC 0 3 Ex -0.011848307 0.173108041 0.184956348 2 1: GGA WC 0 4 Ex -0.031388470 -0.112745325 0.081356855 2 @@ -5828,7 +5815,6 @@ 1: GGA PBEGcGxLO 0 1 Ex -0.462565924 -0.446735536 0.015830388 2 1: GGA PBEGcGxLO 0 2 Ex -0.405637637 -0.421468023 0.015830386 2 1: GGA PBEGcGxLO 0 3 Ex -0.014967279 0.191118233 0.206085512 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA PBEGcGxLO 0 4 Ex -0.039651234 -0.128807086 0.089155852 2 1: GGA PBEGcGxHEG 0 1 Ex -0.421881633 -0.411999640 0.009881993 2 1: GGA PBEGcGxHEG 0 2 Ex -0.396819714 -0.406701705 0.009881991 2 @@ -5862,7 +5848,6 @@ 1: GGA BH 0 2 Ex -0.411168366 -0.371550535 0.039617832 2 1: GGA BH 0 3 Ex -0.008753665 0.262024815 0.270778480 2 1: GGA BH 0 4 Ex -0.023190163 -0.096961674 0.073771511 2 -7: 2 10.400 0.000000042 -0.024899792 -0.024901677 0.000001885 1: 1: iSpin dens gradDens 1: 1 1.108215499 7.558350274 -1.970271645 3.111955495 @@ -5871,6 +5856,7 @@ 1: 4 -0.697678676 -4.151668219 9.953874076 7.582497009 1: GGA PW91 0 1 Ex -1.630441679 -1.567890693 0.062550985 2 1: GGA PW91 0 2 Ex -1.731667621 -1.794218592 0.062550971 2 +7: 2 0.400 0.031118189 -0.913175632 -0.913175702 0.000000070 1: GGA PW91 0 3 Ex -0.055744691 -0.032419899 0.023324791 2 1: GGA PW91 0 4 Ex -0.319025454 -0.313177472 0.005847982 2 1: GGA PBE 0 1 Ex -1.320404874 -1.209496414 0.110908460 2 @@ -5898,7 +5884,6 @@ 1: GGA WC 0 3 Ex 0.009304563 -0.001977440 0.011282003 2 1: GGA WC 0 4 Ex 0.053249776 0.067927602 0.014677826 2 1: GGA PBEJsJrLO 0 1 Ex -1.302289896 -1.210443713 0.091846183 2 -7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 1: GGA PBEJsJrLO 0 2 Ex -1.286365080 -1.378211248 0.091846168 2 1: GGA PBEJsJrLO 0 3 Ex 0.008769728 -0.004771071 0.013540800 2 1: GGA PBEJsJrLO 0 4 Ex 0.050188932 0.067126242 0.016937310 2 @@ -5917,6 +5902,7 @@ 1: GGA PBESOL 0 1 Ex -1.292686123 -1.210730703 0.081955420 2 1: GGA PBESOL 0 2 Ex -1.269112937 -1.351068342 0.081955405 2 1: GGA PBESOL 0 3 Ex 0.012981652 -0.000356246 0.013337898 2 +7: 2 0.600 0.030349878 -0.898888840 -0.898888826 -0.000000013 1: GGA PBESOL 0 4 Ex 0.074293664 0.089626364 0.015332699 2 1: GGA AM05 0 1 Ex -1.092837709 -1.010543649 0.082294060 2 1: GGA AM05 0 1 Ec -0.084729734 -0.086126041 0.001396307 2 @@ -5927,7 +5913,6 @@ 1: GGA AM05 0 4 Ex 0.314205395 0.333537540 0.019332145 2 1: GGA AM05 0 4 Ec -0.036233550 -0.036480291 0.000246742 2 1: GGA PW86 0 1 Ex -1.260844232 -1.128629191 0.132215041 2 -7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 1: GGA PW86 0 2 Ex -1.220652182 -1.352867207 0.132215025 2 1: GGA PW86 0 3 Ex 0.022133589 -0.007377543 0.029511132 2 1: GGA PW86 0 4 Ex 0.126669969 0.152802310 0.026132341 2 @@ -5964,7 +5949,6 @@ 1: GGA revPBE 0 1 Ex -0.812655520 -0.967121375 0.154465855 2 1: GGA revPBE 0 2 Ex -0.546900395 -0.392434536 0.154465860 2 1: GGA revPBE 0 3 Ex 0.053895861 -0.203530054 0.257425914 2 -7: 2 11.000 0.000000008 -0.020221667 -0.020223275 0.000001608 1: GGA revPBE 0 4 Ex -0.056301388 0.061828101 0.118129489 2 1: GGA LYP 0 1 Ex -0.509974480 -0.618710893 0.108736413 2 1: GGA LYP 0 1 Ec -0.462244994 -0.509490797 0.047245803 2 @@ -5975,6 +5959,7 @@ 1: GGA LYP 0 4 Ex 0.008530545 -0.176179529 0.184710074 2 1: GGA LYP 0 4 Ec -0.082788162 0.192388402 0.275176564 2 1: GGA WC 0 1 Ex -0.750353418 -0.843475529 0.093122111 2 +7: 2 0.800 0.029306007 -0.900387339 -0.900387287 -0.000000052 1: GGA WC 0 2 Ex -0.592877063 -0.499754948 0.093122115 2 1: GGA WC 0 3 Ex 0.031936632 -0.113695356 0.145631988 2 1: GGA WC 0 4 Ex -0.033362056 0.047006783 0.080368839 2 @@ -5994,7 +5979,6 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.585174065 -0.506794399 0.078379666 2 1: GGA PBEGcGxHEG 0 3 Ex 0.016862123 -0.100669025 0.117531148 2 1: GGA PBEGcGxHEG 0 4 Ex -0.017614728 0.054860494 0.072475222 2 -7: 2 11.200 0.000000005 -0.018978407 -0.018979907 0.000001500 1: GGA PBESOL 0 1 Ex -0.689628726 -0.780826007 0.091197281 2 1: GGA PBESOL 0 2 Ex -0.570825594 -0.479628309 0.091197285 2 1: GGA PBESOL 0 3 Ex 0.024093598 -0.139276830 0.163370428 2 @@ -6010,6 +5994,7 @@ 1: GGA PW86 0 1 Ex -0.659836258 -0.771341729 0.111505471 2 1: GGA PW86 0 2 Ex -0.596800481 -0.485295005 0.111505475 2 1: GGA PW86 0 3 Ex 0.012783827 -0.251587305 0.264371132 2 +7: 2 1.000 0.028016469 -0.881655824 -0.881655827 0.000000003 1: GGA PW86 0 4 Ex -0.013354406 -0.003264696 0.010089709 2 1: GGA B88 0 1 Ex -0.509876263 -0.618597879 0.108721615 2 1: GGA B88 0 2 Ex -0.550115445 -0.441393826 0.108721619 2 @@ -6033,7 +6018,6 @@ 1: GGA PW91 0 2 Ex -0.881225862 -0.836823888 0.044401974 2 1: GGA PW91 0 3 Ex 0.402856443 0.387178730 0.015677714 2 1: GGA PW91 0 4 Ex -0.515758528 -0.537205574 0.021447046 2 -7: 2 11.400 0.000000003 -0.017861495 -0.017862976 0.000001480 1: GGA PBE 0 1 Ex -1.164311108 -1.207015377 0.042704269 2 1: GGA PBE 0 2 Ex -1.240108614 -1.197404336 0.042704278 2 1: GGA PBE 0 3 Ex 0.142851221 0.129231223 0.013619998 2 @@ -6065,9 +6049,8 @@ 1: GGA PBEJsJrHEG 0 1 Ex -1.092134586 -1.121564618 0.029430032 2 1: GGA PBEJsJrHEG 0 2 Ex -1.191830462 -1.162400422 0.029430040 2 1: GGA PBEJsJrHEG 0 3 Ex 0.187891112 0.178504485 0.009386627 2 -7: 2 11.600 0.000000002 -0.016855994 -0.016857266 0.000001272 -7: avgDiffVxc, maxDiffVxc = 0.000000682 0.000002261 1: GGA PBEJsJrHEG 0 4 Ex -0.240548327 -0.253978858 0.013430531 2 +7: 2 1.200 0.026517171 -0.869787130 -0.869787127 -0.000000003 1: GGA PBEGcGxLO 0 1 Ex -1.170082379 -1.195035632 0.024953253 2 1: GGA PBEGcGxLO 0 2 Ex -1.249314474 -1.224361212 0.024953262 2 1: GGA PBEGcGxLO 0 3 Ex 0.149324196 0.141428711 0.007895485 2 @@ -6096,7 +6079,6 @@ 1: GGA B88 0 2 Ex -1.280635311 -1.177313670 0.103321641 2 1: GGA B88 0 3 Ex 0.113310683 0.147262475 0.033951791 2 1: GGA B88 0 4 Ex -0.145066443 -0.139957833 0.005108610 2 -4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.09 sec 1: GGA C09 0 1 Ex -1.314542176 -1.333707304 0.019165128 2 1: GGA C09 0 2 Ex -1.355258500 -1.336093362 0.019165137 2 1: GGA C09 0 3 Ex 0.076735725 0.070599377 0.006136348 2 @@ -6121,6 +6103,7 @@ 1: GGA PBE 0 4 Ex -0.053146244 0.031140823 0.084287067 2 1: GGA RPBE 0 1 Ex -0.339278308 -0.480117345 0.140839037 2 1: GGA RPBE 0 2 Ex -0.278480715 -0.137641686 0.140839029 2 +7: 2 1.400 0.024848378 -0.849409711 -0.849409714 0.000000004 1: GGA RPBE 0 3 Ex 0.019796619 0.173218602 0.153421983 2 1: GGA RPBE 0 4 Ex -0.064452143 0.049098377 0.113550519 2 1: GGA revPBE 0 1 Ex -0.400160668 -0.533257703 0.133097034 2 @@ -6172,6 +6155,7 @@ 1: GGA PW86 0 3 Ex 0.018281905 0.149357750 0.131075846 2 1: GGA PW86 0 4 Ex -0.059520665 0.036867129 0.096387794 2 1: GGA B88 0 1 Ex -0.319470586 -0.505206791 0.185736206 2 +7: 2 1.600 0.023052921 -0.829194760 -0.829194754 -0.000000005 1: GGA B88 0 2 Ex -0.280102244 -0.094366048 0.185736196 2 1: GGA B88 0 3 Ex 0.012818930 0.220468373 0.207649443 2 1: GGA B88 0 4 Ex -0.041734777 0.109647556 0.151382333 2 @@ -6228,6 +6212,7 @@ 1: GGA PBEJsJrHEG 0 1 Ex -1.264925100 -1.458649600 0.193724500 2 1: GGA PBEJsJrHEG 0 2 Ex -1.232013959 -1.038289455 0.193724503 2 1: GGA PBEJsJrHEG 0 3 Ex -0.014864796 -0.452180326 0.437315530 2 +7: 2 1.800 0.021174391 -0.806916840 -0.806916840 0.000000000 1: GGA PBEJsJrHEG 0 4 Ex -0.030565128 0.286412208 0.316977336 2 1: GGA PBEGcGxLO 0 1 Ex -1.228084636 -1.426580037 0.198495401 2 1: GGA PBEGcGxLO 0 2 Ex -1.172591838 -0.974096435 0.198495404 2 @@ -6283,6 +6268,7 @@ 1: GGA RPBE 0 4 Ex 0.011801748 0.011799545 0.000002203 2 1: GGA revPBE 0 1 Ex -0.404877822 -0.416208611 0.011330789 2 1: GGA revPBE 0 2 Ex -0.415921348 -0.404590560 0.011330788 2 +7: 2 2.000 0.019255418 -0.783153757 -0.783153754 -0.000000004 1: GGA revPBE 0 3 Ex -0.007748445 -0.034151293 0.026402848 2 1: GGA revPBE 0 4 Ex 0.003509541 -0.036955965 0.040465506 2 1: GGA LYP 0 1 Ex -0.276766761 -0.571991234 0.295224473 2 @@ -6358,6 +6344,7 @@ 1: GGA RPBE 0 1 Ex -1.138272519 -1.051854017 0.086418502 2 1: GGA RPBE 0 2 Ex -1.140554416 -1.226972908 0.086418492 2 1: GGA RPBE 0 3 Ex 0.001337628 -0.204008612 0.205346240 2 +7: 2 2.200 0.017336125 -0.757597743 -0.757597744 0.000000002 1: GGA RPBE 0 4 Ex 0.000236714 0.744078919 0.743842205 2 1: GGA revPBE 0 1 Ex -1.129339836 -1.035104645 0.094235191 2 1: GGA revPBE 0 2 Ex -1.080752713 -1.174987895 0.094235181 2 @@ -6407,6 +6394,7 @@ 1: GGA PW86 0 2 Ex -1.189888906 -1.249690855 0.059801949 2 1: GGA PW86 0 3 Ex 0.035088888 -0.159189018 0.194277907 2 1: GGA PW86 0 4 Ex 0.006209520 0.815796908 0.809587388 2 +7: 2 2.400 0.015452834 -0.730277351 -0.730277352 0.000000001 1: GGA B88 0 1 Ex -1.132909328 -1.035024803 0.097884524 2 1: GGA B88 0 2 Ex -1.019929085 -1.117813599 0.097884514 2 1: GGA B88 0 3 Ex -0.066228011 -0.272258386 0.206030375 2 @@ -6461,6 +6449,7 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.482418148 -0.474052482 0.008365665 2 1: GGA PBEJsJrHEG 0 3 Ex 0.002237355 0.045594048 0.043356693 2 1: GGA PBEJsJrHEG 0 4 Ex -0.041138082 -0.045629402 0.004491321 2 +7: 2 2.600 0.013637077 -0.701421448 -0.701421445 -0.000000003 1: GGA PBEGcGxLO 0 1 Ex -0.455940948 -0.467709351 0.011768403 2 1: GGA PBEGcGxLO 0 2 Ex -0.457045529 -0.445277105 0.011768424 2 1: GGA PBEGcGxLO 0 3 Ex 0.000036687 0.061461257 0.061424570 2 @@ -6514,6 +6503,7 @@ 1: GGA RPBE 0 1 Ex -1.391399450 -0.163195911 1.228203540 2 1: GGA RPBE 0 2 Ex -1.464709100 -2.692912635 1.228203535 2 1: GGA RPBE 0 3 Ex 0.187424680 0.331105769 0.143681089 2 +7: 2 2.800 0.011914930 -0.671294327 -0.671294332 0.000000005 1: GGA RPBE 0 4 Ex -0.037711228 1.870180503 1.907891730 2 1: GGA revPBE 0 1 Ex -1.294580782 0.161103928 1.455684709 2 1: GGA revPBE 0 2 Ex -1.322834252 -2.778518957 1.455684704 2 @@ -6565,6 +6555,7 @@ 1: GGA PW86 0 4 Ex -0.017729038 1.974382088 1.992111126 2 1: GGA B88 0 1 Ex -1.181545644 0.573323024 1.754868668 2 1: GGA B88 0 2 Ex -1.157663744 -2.912532407 1.754868664 2 +7: 2 3.000 0.010306678 -0.640127830 -0.640127826 -0.000000003 1: GGA B88 0 3 Ex -0.061056868 0.115071960 0.176128828 2 1: GGA B88 0 4 Ex 0.012285092 2.593353659 2.581068567 2 1: GGA C09 0 1 Ex -1.114260940 0.123244723 1.237505663 2 @@ -6638,6 +6629,7 @@ 1: GGA AM05 0 4 Ex 0.050721566 0.026000649 0.024720917 2 1: GGA AM05 0 4 Ec 0.022482903 0.023925942 0.001443039 2 1: GGA PW86 0 1 Ex -0.660718662 -0.607187655 0.053531007 2 +7: 2 3.200 0.008826792 -0.608140908 -0.608140906 -0.000000002 1: GGA PW86 0 2 Ex -0.848793685 -0.902324681 0.053530995 2 1: GGA PW86 0 3 Ex 0.092686563 0.097793198 0.005106634 2 1: GGA PW86 0 4 Ex 0.062009487 -0.026803345 0.088812832 2 @@ -6693,6 +6685,7 @@ 1: GGA PBEJsJrLO 0 4 Ex -0.038576632 -0.055521398 0.016944766 2 1: GGA PBEJsJrHEG 0 1 Ex -0.222429297 -0.226261362 0.003832065 2 1: GGA PBEJsJrHEG 0 2 Ex -0.304049821 -0.300217734 0.003832087 2 +7: 2 3.400 0.007484177 -0.575559240 -0.575559241 0.000000000 1: GGA PBEJsJrHEG 0 3 Ex 0.022936837 0.013994677 0.008942159 2 1: GGA PBEJsJrHEG 0 4 Ex -0.041377343 -0.050113838 0.008736495 2 1: GGA PBEGcGxLO 0 1 Ex -0.250873144 -0.259434911 0.008561767 2 @@ -6744,6 +6737,7 @@ 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 1: GGA PBE 0 3 Ex -0.037075791 -0.444243296 0.407167505 2 +7: 2 3.600 0.006282640 -0.542620903 -0.542620901 -0.000000002 1: GGA PBE 0 4 Ex 0.006051540 -0.885199133 0.891250673 2 1: GGA RPBE 0 1 Ex -0.930206132 -1.709265823 0.779059691 2 1: GGA RPBE 0 2 Ex -0.995781590 -0.216721883 0.779059707 2 @@ -6791,6 +6785,7 @@ 1: GGA AM05 0 2 Ec -0.077843082 -0.086288202 0.008445120 2 1: GGA AM05 0 3 Ex -0.083599984 -0.337403451 0.253803467 2 1: GGA AM05 0 3 Ec 0.000825344 0.004451759 0.003626415 2 +7: 2 3.800 0.005221523 -0.509578436 -0.509578436 -0.000000000 1: GGA AM05 0 4 Ex 0.013645256 -0.644394185 0.658039441 2 1: GGA AM05 0 4 Ec -0.000134713 -0.001748071 0.001613358 2 1: GGA PW86 0 1 Ex -1.036754124 -1.584001919 0.547247795 2 @@ -6847,6 +6842,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.341777598 -0.309580943 0.032196655 2 1: GGA PBEJsJrLO 0 3 Ex -0.209875577 -0.192122198 0.017753380 2 1: GGA PBEJsJrLO 0 4 Ex 0.018499600 -0.053962131 0.072461731 2 +7: 2 4.000 0.004296443 -0.476699712 -0.476699713 0.000000000 1: GGA PBEJsJrHEG 0 1 Ex -0.650809063 -0.681909019 0.031099957 2 1: GGA PBEJsJrHEG 0 2 Ex -0.315646042 -0.284546095 0.031099947 2 1: GGA PBEJsJrHEG 0 3 Ex -0.223506241 -0.206357590 0.017148651 2 @@ -6891,7 +6887,6 @@ 1: iSpin dens gradDens 1: 1 0.205807752 0.874068588 1.018240340 0.448668705 1: 2 0.069451807 0.667464062 0.161579197 -0.162143842 -5/9 Test #5: libgridxc_test6 .................. Passed 0.11 sec 1: 3 -0.039407740 1.297265788 0.359092763 0.931484629 1: 4 -0.011129112 0.993679239 -0.418002170 1.116269928 1: GGA PW91 0 1 Ex -0.715129563 -0.834899054 0.119769491 2 @@ -6900,6 +6895,7 @@ 1: GGA PW91 0 4 Ex -0.025932562 -0.041049957 0.015117395 2 1: GGA PBE 0 1 Ex -0.689060364 -0.707883893 0.018823529 2 1: GGA PBE 0 2 Ex -0.808458468 -0.789634942 0.018823526 2 +7: 2 4.200 0.003500077 -0.444266875 -0.444266872 -0.000000003 1: GGA PBE 0 3 Ex -0.034506815 -0.099202666 0.064695851 2 1: GGA PBE 0 4 Ex -0.009745045 0.104025659 0.113770704 2 1: GGA RPBE 0 1 Ex -0.673177306 -0.701068106 0.027890800 2 @@ -6948,6 +6944,7 @@ 1: GGA AM05 0 2 Ec -0.083605578 -0.084445825 0.000840247 2 1: GGA AM05 0 3 Ex 0.059223023 0.181216472 0.121993448 2 1: GGA AM05 0 3 Ec -0.009258573 -0.006694985 0.002563588 2 +7: 2 4.400 0.002822947 -0.412572354 -0.412572353 -0.000000001 1: GGA AM05 0 4 Ex 0.016725132 0.177624370 0.160899238 2 1: GGA AM05 0 4 Ec -0.002614707 -0.006544840 0.003930132 2 1: GGA PW86 0 1 Ex -0.673405718 -0.645299927 0.028105791 2 @@ -7000,6 +6997,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.157376692 -0.145785342 0.011591350 2 1: GGA PBEJsJrLO 0 3 Ex 0.006388267 0.008337545 0.001949277 2 1: GGA PBEJsJrLO 0 4 Ex -0.001372721 -0.011038148 0.009665426 2 +7: 2 4.600 0.002254159 -0.381911080 -0.381911079 -0.000000000 1: GGA PBEJsJrHEG 0 1 Ex -0.133230141 -0.138790587 0.005560445 2 1: GGA PBEJsJrHEG 0 2 Ex -0.136553734 -0.130993306 0.005560428 2 1: GGA PBEJsJrHEG 0 3 Ex 0.004784273 0.005720859 0.000936585 2 @@ -7047,6 +7045,7 @@ 1: 3 -0.191990390 3.102076598 2.156235897 3.439050920 1: 4 -0.253986047 -4.065622276 6.010974946 1.471282794 1: GGA PW91 0 1 Ex -0.920014334 -1.359377702 0.439363367 2 +7: 2 4.800 0.001782061 -0.352568553 -0.352568555 0.000000002 1: GGA PW91 0 2 Ex -1.091690484 -0.652327123 0.439363361 2 1: GGA PW91 0 3 Ex 0.094002759 0.158451861 0.064449102 2 1: GGA PW91 0 4 Ex 0.124357209 0.378911900 0.254554690 2 @@ -7090,6 +7089,7 @@ 1: GGA PBEGcGxHEG 0 2 Ex -1.103848790 -0.846097057 0.257751733 2 1: GGA PBEGcGxHEG 0 3 Ex 0.102415402 0.143313043 0.040897641 2 1: GGA PBEGcGxHEG 0 4 Ex 0.135486381 0.282485666 0.146999285 2 +7: 2 5.000 0.001394815 -0.324805491 -0.324805492 0.000000001 1: GGA PBESOL 0 1 Ex -0.879341226 -1.199369962 0.320028736 2 1: GGA PBESOL 0 2 Ex -1.089523958 -0.769495229 0.320028729 2 1: GGA PBESOL 0 3 Ex 0.115087371 0.180641122 0.065553751 2 @@ -7144,6 +7144,7 @@ 1: GGA LYP 0 1 Ec -0.261034559 -0.221789527 0.039245032 2 1: GGA LYP 0 2 Ex -1.032778987 -1.239266414 0.206487427 2 1: GGA LYP 0 2 Ec -0.118116812 -0.157361845 0.039245032 2 +7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 1: GGA LYP 0 3 Ex -0.060868765 0.413471650 0.474340415 2 1: GGA LYP 0 3 Ec 0.134530043 0.126910441 0.007619602 2 1: GGA LYP 0 4 Ex 0.035256998 0.664816615 0.629559617 2 @@ -7190,6 +7191,7 @@ 1: GGA B88 0 4 Ex 0.035219180 0.664520374 0.629301193 2 1: GGA C09 0 1 Ex -0.971081783 -0.879751583 0.091330200 2 1: GGA C09 0 2 Ex -1.049186995 -1.140517193 0.091330198 2 +7: 2 5.400 0.000829225 -0.274842954 -0.274842954 -0.000000000 1: GGA C09 0 3 Ex -0.073521293 0.208871473 0.282392766 2 1: GGA C09 0 4 Ex 0.042585718 0.446364208 0.403778490 2 1: GGA BH 0 1 Ex -1.196576592 -1.077459247 0.119117345 2 @@ -7239,6 +7241,7 @@ 1: GGA PBEGcGxLO 0 3 Ex -0.001108601 0.026818637 0.027927238 2 1: GGA PBEGcGxLO 0 4 Ex -0.005722326 0.010556450 0.016278776 2 1: GGA PBEGcGxHEG 0 1 Ex -0.168411057 -0.165916825 0.002494232 2 +7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 1: GGA PBEGcGxHEG 0 2 Ex -0.220084467 -0.222578695 0.002494228 2 1: GGA PBEGcGxHEG 0 3 Ex -0.001155738 0.012840065 0.013995803 2 1: GGA PBEGcGxHEG 0 4 Ex -0.005965636 0.002125249 0.008090885 2 @@ -7290,6 +7293,7 @@ 1: GGA RPBE 0 4 Ex 0.021308846 0.603857592 0.582548746 2 1: GGA revPBE 0 1 Ex -0.805536993 -0.054440299 0.751096694 2 1: GGA revPBE 0 2 Ex -0.681509036 -1.432605741 0.751096706 2 +7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 1: GGA revPBE 0 3 Ex 0.103453981 0.450351365 0.346897385 2 1: GGA revPBE 0 4 Ex 0.015506188 0.704946212 0.689440025 2 1: GGA LYP 0 1 Ex -0.557346939 0.458730452 1.016077392 2 @@ -7337,6 +7341,7 @@ 1: GGA PW86 0 3 Ex 0.011533796 0.280209519 0.268675723 2 1: GGA PW86 0 4 Ex 0.001728742 0.479180496 0.477451755 2 1: GGA B88 0 1 Ex -0.557210103 0.458732608 1.015942711 2 +7: 2 6.000 0.000352629 -0.215702309 -0.215702309 0.000000000 1: GGA B88 0 2 Ex -0.565949653 -1.581892377 1.015942723 2 1: GGA B88 0 3 Ex -0.007289818 0.481010538 0.488300356 2 1: GGA B88 0 4 Ex -0.001092634 0.804136995 0.805229629 2 @@ -7386,6 +7391,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.931158311 -0.955799639 0.024641328 2 1: GGA PBEJsJrLO 0 3 Ex 0.031483741 -0.016356234 0.047839975 2 1: GGA PBEJsJrLO 0 4 Ex 0.052958546 0.088839018 0.035880472 2 +7: 2 6.200 0.000259921 -0.200780146 -0.200780146 0.000000000 1: GGA PBEJsJrHEG 0 1 Ex -0.890574739 -0.869013158 0.021561580 2 1: GGA PBEJsJrHEG 0 2 Ex -0.894960250 -0.916521821 0.021561572 2 1: GGA PBEJsJrHEG 0 3 Ex -0.004317671 -0.045511998 0.041194327 2 @@ -7434,6 +7440,7 @@ 1: 4 0.126071801 0.462184383 0.037738186 -1.707416985 1: GGA PW91 0 1 Ex -0.931880442 -0.874659222 0.057221219 2 1: GGA PW91 0 2 Ex -0.912848416 -0.970069633 0.057221218 2 +7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 1: GGA PW91 0 3 Ex -0.037926548 0.023515834 0.061442381 2 1: GGA PW91 0 4 Ex 0.074284753 0.112984697 0.038699943 2 1: GGA PBE 0 1 Ex -0.863626507 -0.758909784 0.104716724 2 @@ -7476,6 +7483,7 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.801525664 -0.872777453 0.071251789 2 1: GGA PBEGcGxHEG 0 3 Ex 0.024198864 0.105773201 0.081574337 2 1: GGA PBEGcGxHEG 0 4 Ex -0.047397055 0.003378726 0.050775781 2 +7: 2 6.600 0.000137039 -0.180551188 -0.180551191 0.000000003 1: GGA PBESOL 0 1 Ex -0.817613751 -0.720340100 0.097273650 2 1: GGA PBESOL 0 2 Ex -0.814188540 -0.911462192 0.097273651 2 1: GGA PBESOL 0 3 Ex -0.006825674 0.104639281 0.111464954 2 @@ -7526,6 +7534,7 @@ 1: GGA RPBE 0 2 Ex -1.565874783 -1.647116247 0.081241465 2 1: GGA RPBE 0 3 Ex 0.266449096 0.256089057 0.010360039 2 1: GGA RPBE 0 4 Ex -0.208722535 -0.222966963 0.014244428 2 +7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA revPBE 0 1 Ex -1.694603776 -1.612351829 0.082251947 2 1: GGA revPBE 0 2 Ex -1.691281303 -1.773533250 0.082251947 2 1: GGA revPBE 0 3 Ex 0.169060126 0.159835486 0.009224640 2 @@ -7571,6 +7580,7 @@ 1: GGA AM05 0 4 Ex -0.351281757 -0.294186990 0.057094767 2 1: GGA AM05 0 4 Ec 0.053221415 0.053926994 0.000705579 2 1: GGA PW86 0 1 Ex -1.541164740 -1.414077265 0.127087476 2 +7: 2 7.000 0.000069415 -0.173810452 -0.173810468 0.000000016 1: GGA PW86 0 2 Ex -1.535813682 -1.662901158 0.127087477 2 1: GGA PW86 0 3 Ex 0.272282346 0.281786476 0.009504130 2 1: GGA PW86 0 4 Ex -0.213292002 -0.202753503 0.010538500 2 @@ -7623,6 +7633,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.571421259 -0.563087941 0.008333318 2 1: GGA PBEJsJrLO 0 2 Ex -0.574532557 -0.582865883 0.008333326 2 1: GGA PBEJsJrLO 0 3 Ex 0.002714103 0.083306633 0.080592530 2 +7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PBEJsJrLO 0 4 Ex 0.048507973 0.043731443 0.004776529 2 1: GGA PBEJsJrHEG 0 1 Ex -0.553178455 -0.547087252 0.006091203 2 1: GGA PBEJsJrHEG 0 2 Ex -0.552824510 -0.558915721 0.006091211 2 @@ -7779,6 +7790,9 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.920759799 -0.837671690 0.083088108 2 1: GGA PBEJsJrLO 0 2 Ex -0.915132243 -0.998220363 0.083088120 2 1: GGA PBEJsJrLO 0 3 Ex 0.007358837 0.038613761 0.031254924 2 +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 1: GGA PBEJsJrLO 0 4 Ex 0.000175631 0.021764595 0.021588964 2 1: GGA PBEJsJrHEG 0 1 Ex -0.907686899 -0.833241767 0.074445132 2 1: GGA PBEJsJrHEG 0 2 Ex -0.875935372 -0.950380515 0.074445143 2 @@ -7829,6 +7843,7 @@ 1: GGA PW91 0 1 Ex -1.304322761 -1.369162813 0.064840052 2 1: GGA PW91 0 2 Ex -1.281433304 -1.216593238 0.064840066 2 1: GGA PW91 0 3 Ex -0.001682343 0.092948683 0.094631025 2 +7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: GGA PW91 0 4 Ex 0.063426060 0.054236222 0.009189838 2 1: GGA PBE 0 1 Ex -1.271512500 -1.334738663 0.063226162 2 1: GGA PBE 0 2 Ex -1.261783112 -1.198556935 0.063226177 2 @@ -7869,6 +7884,7 @@ 1: GGA PBEGcGxHEG 0 1 Ex -1.202295745 -1.243192404 0.040896659 2 1: GGA PBEGcGxHEG 0 2 Ex -1.218034293 -1.177137621 0.040896672 2 1: GGA PBEGcGxHEG 0 3 Ex 0.001156761 0.063412681 0.062255920 2 +7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 1: GGA PBEGcGxHEG 0 4 Ex -0.043611086 -0.049339261 0.005728175 2 1: GGA PBESOL 0 1 Ex -1.154010013 -1.204700833 0.050690820 2 1: GGA PBESOL 0 2 Ex -1.168280903 -1.117590069 0.050690834 2 @@ -7918,6 +7934,7 @@ 1: GGA RPBE 0 4 Ex -0.158596563 -0.172547607 0.013951045 2 1: GGA revPBE 0 1 Ex -0.882779123 -0.882134671 0.000644452 2 1: GGA revPBE 0 2 Ex -0.850930589 -0.851575058 0.000644470 2 +7: 2 8.400 0.000004681 -0.075347142 -0.075346958 -0.000000184 1: GGA revPBE 0 3 Ex -0.064078163 -0.070313264 0.006235101 2 1: GGA revPBE 0 4 Ex -0.123881717 -0.120739445 0.003142272 2 1: GGA LYP 0 1 Ex -0.655157397 -0.611503938 0.043653460 2 @@ -7962,6 +7979,7 @@ 1: GGA AM05 0 4 Ec -0.010539289 -0.010499631 0.000039657 2 1: GGA PW86 0 1 Ex -0.822706843 -0.807653625 0.015053218 2 1: GGA PW86 0 2 Ex -0.826614868 -0.841668103 0.015053235 2 +7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000077 1: GGA PW86 0 3 Ex 0.007862812 -0.027890929 0.035753740 2 1: GGA PW86 0 4 Ex 0.015201101 0.031759809 0.016558708 2 1: GGA B88 0 1 Ex -0.654932054 -0.611283055 0.043649000 2 @@ -8009,6 +8027,7 @@ 1: GGA WC 0 1 Ex -0.504834309 -0.368339514 0.136494795 2 1: GGA WC 0 2 Ex -0.479641378 -0.616136167 0.136494789 2 1: GGA WC 0 3 Ex -0.048539560 -0.301540946 0.253001386 2 +7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA WC 0 4 Ex 0.063326058 -0.103449290 0.166775348 2 1: GGA PBEJsJrLO 0 1 Ex -0.508797994 -0.383808495 0.124989499 2 1: GGA PBEJsJrLO 0 2 Ex -0.486798282 -0.611787775 0.124989493 2 @@ -8047,6 +8066,7 @@ 1: GGA B88 0 3 Ex -0.006317516 -0.534762723 0.528445207 2 1: GGA B88 0 4 Ex 0.008242007 -0.351615520 0.359857527 2 1: GGA C09 0 1 Ex -0.540235424 -0.376628431 0.163606993 2 +7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA C09 0 2 Ex -0.491425040 -0.655032025 0.163606986 2 1: GGA C09 0 3 Ex -0.094043626 -0.402636384 0.308592758 2 1: GGA C09 0 4 Ex 0.122691927 -0.081301323 0.203993249 2 @@ -8091,6 +8111,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.280040240 -0.266525090 0.013515149 2 1: GGA PBEJsJrLO 0 2 Ex -0.289486986 -0.303002121 0.013515134 2 1: GGA PBEJsJrLO 0 3 Ex -0.003503454 -0.029689567 0.026186113 2 +7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA PBEJsJrLO 0 4 Ex -0.007283177 0.014078188 0.021361365 2 1: GGA PBEJsJrHEG 0 1 Ex -0.246846305 -0.239981620 0.006864685 2 1: GGA PBEJsJrHEG 0 2 Ex -0.262482443 -0.269347116 0.006864673 2 @@ -8131,6 +8152,7 @@ 1: GGA BH 0 1 Ex -0.280792873 -0.254811697 0.025981177 2 1: GGA BH 0 2 Ex -0.273244681 -0.299225830 0.025981149 2 1: GGA BH 0 3 Ex 0.002799349 -0.053747980 0.056547329 2 +7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA BH 0 4 Ex 0.005819445 0.049870174 0.044050729 2 1: 1: iSpin dens gradDens @@ -8174,6 +8196,7 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.375255097 -1.575163609 0.199908512 2 1: GGA PBEJsJrHEG 0 3 Ex -0.062373162 -0.229669206 0.167296045 2 1: GGA PBEJsJrHEG 0 4 Ex 0.000666337 0.264355481 0.263689143 2 +7: 2 9.600 0.000000313 -0.034608838 -0.034611089 0.000002250 1: GGA PBEGcGxLO 0 1 Ex -1.455500769 -1.224847186 0.230653583 2 1: GGA PBEGcGxLO 0 2 Ex -1.272195349 -1.502848937 0.230653588 2 1: GGA PBEGcGxLO 0 3 Ex -0.107705781 -0.300978616 0.193272835 2 @@ -8219,6 +8242,7 @@ 1: GGA PW91 0 1 Ex -1.509999640 -1.582874861 0.072875221 2 1: GGA PW91 0 2 Ex -1.825120564 -1.752245350 0.072875214 2 1: GGA PW91 0 3 Ex 0.084681439 0.254374701 0.169693262 2 +7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA PW91 0 4 Ex 0.392421098 0.385062637 0.007358461 2 1: GGA PBE 0 1 Ex -1.268408903 -1.279703622 0.011294718 2 1: GGA PBE 0 2 Ex -1.326775636 -1.315480926 0.011294710 2 @@ -8257,6 +8281,7 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.001703682 0.284676728 0.282973046 2 1: GGA PBEGcGxLO 0 4 Ex 0.007895010 -0.052937360 0.060832370 2 1: GGA PBEGcGxHEG 0 1 Ex -1.242312218 -1.247519366 0.005207148 2 +7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA PBEGcGxHEG 0 2 Ex -1.217074080 -1.211866939 0.005207141 2 1: GGA PBEGcGxHEG 0 3 Ex -0.006782164 0.232312222 0.239094386 2 1: GGA PBEGcGxHEG 0 4 Ex -0.031429133 -0.080933137 0.049504003 2 @@ -8303,6 +8328,7 @@ 1: GGA PBE 0 3 Ex -0.035601349 0.394893053 0.430494402 2 1: GGA PBE 0 4 Ex -0.052154903 -0.199381071 0.147226169 2 1: GGA RPBE 0 1 Ex -0.787144124 -1.186484495 0.399340371 2 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA RPBE 0 2 Ex -0.727843270 -0.328502881 0.399340389 2 1: GGA RPBE 0 3 Ex -0.037394184 0.586065842 0.623460026 2 1: GGA RPBE 0 4 Ex -0.054781352 -0.264216932 0.209435580 2 @@ -8339,6 +8365,7 @@ 1: GGA PBEGcGxHEG 0 3 Ex -0.029436920 0.254942210 0.284379131 2 1: GGA PBEGcGxHEG 0 4 Ex -0.043124201 -0.136586183 0.093461982 2 1: GGA PBESOL 0 1 Ex -0.792692262 -1.049188914 0.256496652 2 +7: 2 10.400 0.000000042 -0.024899792 -0.024901677 0.000001885 1: GGA PBESOL 0 2 Ex -0.751459908 -0.494963242 0.256496667 2 1: GGA PBESOL 0 3 Ex -0.026000472 0.340225767 0.366226240 2 1: GGA PBESOL 0 4 Ex -0.038089908 -0.149249893 0.111159985 2 @@ -8385,6 +8412,7 @@ 1: GGA RPBE 0 3 Ex -0.001500982 -0.001564781 0.000063799 2 1: GGA RPBE 0 4 Ex -0.002818347 -0.002837027 0.000018680 2 1: GGA revPBE 0 1 Ex -0.279429841 -0.067886462 0.211543379 2 +7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 1: GGA revPBE 0 2 Ex -0.256044854 -0.467588211 0.211543357 2 1: GGA revPBE 0 3 Ex -0.011663096 -0.139737276 0.128074181 2 1: GGA revPBE 0 4 Ex -0.021899423 -0.066636663 0.044737240 2 @@ -8422,6 +8450,7 @@ 1: GGA PBESOL 0 4 Ex -0.016047405 -0.048236749 0.032189343 2 1: GGA AM05 0 1 Ex -0.165862145 1.231954140 1.397816285 2 1: GGA AM05 0 1 Ec -0.027957857 -0.028724564 0.000766707 2 +7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 1: GGA AM05 0 2 Ex -0.136754704 -1.534570989 1.397816285 2 1: GGA AM05 0 2 Ec -0.028665373 -0.027898665 0.000766707 2 1: GGA AM05 0 3 Ex -0.014517129 0.021501908 0.036019037 2 @@ -8466,6 +8495,7 @@ 1: GGA revPBE 0 2 Ex -0.136713496 -0.158883025 0.022169529 2 1: GGA revPBE 0 3 Ex -0.025542293 0.031404389 0.056946683 2 1: GGA revPBE 0 4 Ex 0.046148948 0.085755020 0.039606072 2 +7: 2 11.000 0.000000008 -0.020221667 -0.020223275 0.000001608 1: GGA LYP 0 1 Ex -0.392797164 -0.346084074 0.046713090 2 1: GGA LYP 0 1 Ec -0.866977007 -0.844403812 0.022573195 2 1: GGA LYP 0 2 Ex -0.601186864 -0.647899954 0.046713090 2 @@ -8506,6 +8536,7 @@ 1: GGA AM05 0 3 Ec 0.013321260 0.013151650 0.000169610 2 1: GGA AM05 0 4 Ex -0.223920434 -0.176759553 0.047160881 2 1: GGA AM05 0 4 Ec -0.024068401 -0.024186364 0.000117963 2 +7: 2 11.200 0.000000005 -0.018978407 -0.018979907 0.000001500 1: GGA PW86 0 1 Ex -0.273694940 -0.255127180 0.018567760 2 1: GGA PW86 0 2 Ex -0.338648211 -0.357215929 0.018567718 2 1: GGA PW86 0 3 Ex 0.049273319 0.096278069 0.047004751 2 @@ -8550,6 +8581,7 @@ 1: GGA LYP 0 2 Ec -0.030865829 1.904928361 1.935794190 2 1: GGA LYP 0 3 Ex 0.006050009 26.645348087 26.639298078 2 1: GGA LYP 0 3 Ec 0.051638152 -3.135803293 3.187441445 2 +7: 2 11.400 0.000000003 -0.017861495 -0.017862976 0.000001480 1: GGA LYP 0 4 Ex 0.002255531 8.122983754 8.120728223 2 1: GGA LYP 0 4 Ec 0.019251449 -1.107673987 1.126925437 2 1: GGA WC 0 1 Ex -0.804562627 7.470021141 8.274583769 2 @@ -8586,7 +8618,9 @@ 1: GGA AM05 0 4 Ec -0.000177564 -0.007079151 0.006901587 2 1: GGA PW86 0 1 Ex -0.812030077 7.916928479 8.728958556 2 1: GGA PW86 0 2 Ex -0.744759818 -9.473718377 8.728958559 2 +7: 2 11.600 0.000000002 -0.016855994 -0.016857266 0.000001272 1: GGA PW86 0 3 Ex 0.018048323 14.821367249 14.803318926 2 +7: avgDiffVxc, maxDiffVxc = 0.000000682 0.000002261 1: GGA PW86 0 4 Ex 0.006728676 3.933886707 3.927158031 2 1: GGA B88 0 1 Ex -0.630405052 15.285934277 15.916339329 2 1: GGA B88 0 2 Ex -0.607875386 -16.524214718 15.916339332 2 @@ -8632,6 +8666,7 @@ 1: GGA LYP 0 4 Ec -0.009901302 -0.006904068 0.002997234 2 1: GGA WC 0 1 Ex -1.272403955 -1.303249436 0.030845481 2 1: GGA WC 0 2 Ex -1.315533324 -1.284687849 0.030845475 2 +4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.09 sec 1: GGA WC 0 3 Ex -0.014159329 -0.064954354 0.050795025 2 1: GGA WC 0 4 Ex -0.001590842 0.032384949 0.033975791 2 1: GGA PBEJsJrLO 0 1 Ex -1.253601992 -1.286166600 0.032564609 2 @@ -9457,7 +9492,8 @@ 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 +5/9 Test #1: libgridxc_test1 .................. Passed 0.12 sec +6/9 Test #5: libgridxc_test6 .................. Passed 0.12 sec 2: 2: funcs= VDW 2: auths= BH @@ -9465,45 +9501,45 @@ 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 -0.998709083 -0.000297802 3: Ex, Ec = -3.716289981 -0.771674483 3: Dx, Dc = 1.192543612 0.121155159 -2: 1 0.400 0.046677283 -0.999006885 -0.998709083 -0.000297802 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 -0.963927463 -0.000001689 2: 1 1.200 0.039775757 -0.949006509 -0.949005812 -0.000000697 +2: 1 1.400 0.037272568 -0.929353368 -0.929356366 0.000002998 3: i1 i2 i3 iSpin Vxc dExc/dDens diff 3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 -2: 1 1.400 0.037272568 -0.929353368 -0.929356366 0.000002998 2: 1 1.600 0.034579382 -0.908100586 -0.908099070 -0.000001516 2: 1 1.800 0.031761587 -0.884442948 -0.884442169 -0.000000779 2: 1 2.000 0.028883127 -0.858808538 -0.858809374 0.000000836 2: 1 2.200 0.026004187 -0.831341143 -0.831341121 -0.000000021 -3: 4 2 23 2 -0.524218962 -0.524218950 -0.000000011 2: 1 2.400 0.023179251 -0.802320622 -0.802320391 -0.000000231 +3: 4 2 23 2 -0.524218962 -0.524218950 -0.000000011 2: 1 2.600 0.020455616 -0.772056571 -0.772056924 0.000000353 2: 1 2.800 0.017872394 -0.740675199 -0.740674879 -0.000000320 2: 1 3.000 0.015460016 -0.708430779 -0.708429556 -0.000001223 2: 1 3.200 0.013240188 -0.675669578 -0.675674006 0.000004429 -3: 5 6 2 1 -0.626312320 -0.626312322 0.000000002 2: 1 3.400 0.011226266 -0.642459702 -0.642454689 -0.000005013 +3: 5 6 2 1 -0.626312320 -0.626312322 0.000000002 2: 1 3.600 0.009423960 -0.609091304 -0.609092447 0.000001143 2: 1 3.800 0.007832284 -0.575839731 -0.575841528 0.000001797 2: 1 4.000 0.006444664 -0.542697531 -0.542696462 -0.000001069 -3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005 2: 1 4.200 0.005250115 -0.510078329 -0.510077515 -0.000000814 2: 1 4.400 0.004234421 -0.478003232 -0.478007540 0.000004308 +3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005 2: 1 4.600 0.003381238 -0.446577649 -0.446566567 -0.000011082 2: 1 4.800 0.002673091 -0.416186718 -0.416202731 0.000016013 2: 1 5.000 0.002092223 -0.386734472 -0.386724842 -0.000009630 -3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 2: 1 5.200 0.001621280 -0.359258071 -0.359253814 -0.000004258 2: 1 5.400 0.001243837 -0.329009264 -0.329019033 0.000009769 +3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 2: 1 5.600 0.000944766 -0.268263860 -0.268258609 -0.000005251 2: 1 5.800 0.000710460 -0.184072378 -0.184073423 0.000001045 2: 1 6.000 0.000528944 -0.147193854 -0.147194458 0.000000604 -3: 1 2 0 2 -0.680189858 -0.680189871 0.000000013 2: 1 6.200 0.000389881 -0.169127143 -0.169125286 -0.000001857 +3: 1 2 0 2 -0.680189858 -0.680189871 0.000000013 2: 1 6.400 0.000284517 -0.195915387 -0.195917508 0.000002121 2: 1 6.600 0.000205559 -0.203472102 -0.203471425 -0.000000677 2: 1 6.800 0.000147033 -0.198598658 -0.198597593 -0.000001065 @@ -9590,10 +9626,6 @@ 2: 2 10.800 0.000000015 -0.026918806 -0.026920311 0.000001505 2: 2 11.000 0.000000008 -0.023998661 -0.023999989 0.000001328 2: 2 11.200 0.000000005 -0.021355613 -0.021356851 0.000001238 -2: 2 11.400 0.000000003 -0.018968230 -0.018969119 0.000000889 -2: 2 11.600 0.000000002 -0.016816386 -0.016817093 0.000000707 -2: avgDiffVxc, maxDiffVxc = 0.000088782 0.000835202 -7/9 Test #2: libgridxc_test2 .................. Passed 7.11 sec 4: 4: funcs= VDW 4: auths= BH @@ -9604,7 +9636,11 @@ 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 7.20 sec +7/9 Test #4: libgridxc_test4 .................. Passed 7.11 sec +2: 2 11.400 0.000000003 -0.018968230 -0.018969119 0.000000889 +2: 2 11.600 0.000000002 -0.016816386 -0.016817093 0.000000707 +2: avgDiffVxc, maxDiffVxc = 0.000088782 0.000835202 +8/9 Test #2: libgridxc_test2 .................. Passed 7.14 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9617,11 +9653,11 @@ 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 8.66 sec +9/9 Test #3: libgridxc_test3 .................. Passed 8.71 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 8.67 sec +Total Test time (real) = 8.72 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -9651,19 +9687,19 @@ 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-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.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-aarch64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" @@ -9672,59 +9708,59 @@ make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.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-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build -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-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build +make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build 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 -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. +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-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.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-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.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-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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_hse06.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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-aarch64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-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_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' -[ 68%] Built target libgridxc-test_libxc -[ 80%] Built target libgridxc-test6 -[ 74%] Built target libgridxc-test2 -[ 80%] Built target libgridxc-test3 -[ 84%] Built target libgridxc-test4 -[ 88%] Built target libgridxc-test1 -[ 92%] Built target libgridxc-test_match -[ 96%] Built target libgridxc-test_hse06 -[100%] Built target libgridxc-test_libxc2 +[ 68%] Built target libgridxc-test_hse06 +[ 72%] Built target libgridxc-test1 +[ 76%] Built target libgridxc-test4 +[ 82%] Built target libgridxc-test_libxc +[ 84%] Built target libgridxc-test6 +[ 92%] Built target libgridxc-test3 +[ 96%] Built target libgridxc-test_libxc2 +[ 92%] Built target libgridxc-test2 +[100%] Built target libgridxc-test_match make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall @@ -9762,19 +9798,19 @@ -- 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_gpfa_core_dp.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_array.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_io.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_interpolation.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_array.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_sorting.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_alloc.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_walltime.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_config.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/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-aarch64-linux-gnu' dh_installdocs -O--buildsystem=cmake @@ -9804,12 +9840,14 @@ 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/3651694/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/3651694/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/157188 and its subdirectories -I: Current time: Thu Nov 14 12:13:04 -12 2024 -I: pbuilder-time-stamp: 1731629584 +I: removing directory /srv/workspace/pbuilder/3651694 and its subdirectories +I: Current time: Thu Dec 18 20:37:09 +14 2025 +I: pbuilder-time-stamp: 1766039829