Diff of the two buildlogs: -- --- b1/build.log 2024-11-20 05:29:47.979217347 +0000 +++ b2/build.log 2024-11-20 05:31:11.339457191 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue Nov 19 17:27:34 -12 2024 -I: pbuilder-time-stamp: 1732080454 +I: Current time: Wed Dec 24 01:52:49 +14 2025 +I: pbuilder-time-stamp: 1766490769 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-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/2553569/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/68102/tmp/hooks/D01_modify_environment starting +debug: Running on ionos15-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Dec 23 11:52 /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/68102/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/68102/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="32" [3]="1" [4]="release" [5]="x86_64-pc-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=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='e327eb95f0c245d0a176787c619811ba' - 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='2553569' - PS1='# ' - PS2='> ' + INVOCATION_ID=782d788277f6478b8352a86deedfcc14 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=68102 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.TryT3hOb/pbuilderrc_1Yw3 --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/b1 --logfile b1/build.log libgridxc_2.0.2-1.dsc' - SUDO_GID='110' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/pbuilderrc_0t7l --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.TryT3hOb/b2 --logfile b2/build.log libgridxc_2.0.2-1.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos1-amd64 6.1.0-27-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.115-1 (2024-11-01) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.11.5+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.11.5-1~bpo12+1 (2024-11-11) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 4 21:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/2553569/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 4 2024 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/68102/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 trixie/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 64 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 65 http://deb.debian.org/debian trixie/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB] -Fetched 62.4 MB in 11s (5853 kB/s) +Fetched 62.4 MB in 4s (14.3 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libproc2-0:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19969 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/68102/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/68102/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 @@ -518,7 +554,7 @@ -- Searching for libXC library - found -- Configuring docs -- Configuring libgridxc tests... --- Configuring done (0.7s) +-- Configuring done (0.6s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -531,7 +567,7 @@ -- Build files have been written to: /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2' dh_auto_build -O--buildsystem=cmake - cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.2 -B/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -546,68 +582,68 @@ make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o -[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o -[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_walltime.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +[ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o +[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_walltime.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_config.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_config.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 touch CMakeFiles/libgridxc-lib.dir/src/precision.F90.o.provides.build /usr/bin/cmake -E 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object CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c 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-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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ldaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o -[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU -[ 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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_bessph.mod CMakeFiles/libgridxc-lib.dir/gridxc_bessph.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_io.mod CMakeFiles/libgridxc-lib.dir/gridxc_io.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sorting.mod CMakeFiles/libgridxc-lib.dir/gridxc_sorting.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o.provides.build [ 31%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/minvec.F90 -o CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_minvec.mod CMakeFiles/libgridxc-lib.dir/gridxc_minvec.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o.provides.build -[ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_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 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/ldaxc.F90.o.provides.build -/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/minvec.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o.provides.build +[ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o [ 35%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/mesh1d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_array.mod CMakeFiles/libgridxc-lib.dir/gridxc_array.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/array.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_mesh1d.mod CMakeFiles/libgridxc-lib.dir/gridxc_mesh1d.mod.stamp GNU @@ -616,20 +652,20 @@ /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o.provides.build [ 37%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/xc_hybrids.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build -[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_alloc.mod CMakeFiles/libgridxc-lib.dir/gridxc_alloc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o.provides.build -[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o +[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o -[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o +[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_moreparallelsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_moreparallelsubs.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o.provides.build -[ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o +[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/debugxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o +[ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_debugxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_debugxc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gga.mod CMakeFiles/libgridxc-lib.dir/gridxc_gga.mod.stamp GNU @@ -664,10 +700,10 @@ /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/xcmod.F90 -o CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xcmod.mod CMakeFiles/libgridxc-lib.dir/gridxc_xcmod.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o.provides.build -[ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o +[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o [ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/cellxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_atom.mod CMakeFiles/libgridxc-lib.dir/gridxc_atom.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cell.mod CMakeFiles/libgridxc-lib.dir/gridxc_cell.mod.stamp GNU @@ -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-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.2/src/gridxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc.mod CMakeFiles/libgridxc-lib.dir/gridxc.mod.stamp GNU -[ 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" @@ -696,145 +732,145 @@ make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". -Scanning dependencies of target libgridxc-test3 -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Scanning dependencies of target libgridxc-test1 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Scanning dependencies of target libgridxc-test3 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Scanning dependencies of target libgridxc-test6 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". Scanning dependencies of target libgridxc-test2 -Scanning dependencies of target libgridxc-test_libxc2 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' Scanning dependencies of target libgridxc-test4 +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +Scanning dependencies of target libgridxc-test_match +Scanning dependencies of target libgridxc-test_libxc2 make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build +Scanning dependencies of target libgridxc-test_libxc make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -Scanning dependencies of target libgridxc-test_libxc +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build +Scanning dependencies of target libgridxc-test_hse06 make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -Scanning dependencies of target libgridxc-test_hse06 -Scanning dependencies of target libgridxc-test_match +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o +[ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.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-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o -[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace -c /build/reproducible-path/libgridxc-2.0.2/Testers/test_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-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 -[ 86%] Linking Fortran executable libgridxc-test_match +[ 84%] Linking Fortran executable libgridxc-test_match cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +[ 86%] Linking Fortran executable libgridxc-test_hse06 +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [ 88%] Linking Fortran executable libgridxc-test_libxc2 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 [ 90%] Linking Fortran executable libgridxc-test_libxc cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [ 92%] Linking Fortran executable libgridxc-test2 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test2.dir/link.txt --verbose=1 -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [ 94%] Linking Fortran executable libgridxc-test6 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test6.dir/link.txt --verbose=1 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +[ 94%] Built target libgridxc-test_match [ 94%] Built target libgridxc-test_hse06 +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 94%] Built target libgridxc-test_match make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 94%] Built target libgridxc-test_libxc2 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 94%] Built target libgridxc-test_libxc [ 94%] Built target libgridxc-test2 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +[ 94%] Built target libgridxc-test6 +[ 94%] Built target libgridxc-test_libxc +[ 94%] Built target libgridxc-test_libxc2 [ 96%] Linking Fortran executable libgridxc-test4 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 -[ 96%] Built target libgridxc-test6 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so -[ 98%] Linking Fortran executable libgridxc-test1 +[100%] Linking Fortran executable libgridxc-test1 +[100%] Linking Fortran executable libgridxc-test3 +cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test1.dir/test1.f90.o" -o libgridxc-test1 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so +/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test3.dir/test3.F90.o" -o libgridxc-test3 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 98%] Built target libgridxc-test4 -[100%] Linking Fortran executable libgridxc-test3 -cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test3.dir/link.txt --verbose=1 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -/usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.2=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fallow-argument-mismatch -g -O2 -fbacktrace "CMakeFiles/libgridxc-test3.dir/test3.F90.o" -o libgridxc-test3 ../libgridxc.a /usr/lib/x86_64-linux-gnu/libxcf03.so /usr/lib/x86_64-linux-gnu/libxc.so [100%] Built target libgridxc-test1 +[100%] Built target libgridxc-test4 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' [100%] Built target libgridxc-test3 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' dh_auto_test -O--buildsystem=cmake - cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20 + cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j20 +/usr/bin/ctest --force-new-ctest-process --verbose -j42 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu @@ -1966,6 +2002,48 @@ 1: GGA PBE 0 2 Ex -0.523115961 -0.596308741 0.073192779 2 1: GGA PBE 0 3 Ex 0.063140665 0.167984438 0.104843773 2 1: GGA PBE 0 4 Ex -0.026371808 0.158151244 0.184523053 2 +6: 1 4.200 0.005250115 -0.520082870 -0.520082870 0.000000001 +6: 1 4.400 0.004234421 -0.487004137 -0.487004139 0.000000002 +6: 1 4.600 0.003381238 -0.453240679 -0.453240680 0.000000001 +7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 +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 RPBE 0 1 Ex -0.574721111 -0.490987313 0.083733798 2 1: GGA RPBE 0 2 Ex -0.520197250 -0.603931069 0.083733819 2 1: GGA RPBE 0 3 Ex 0.071842062 0.191274334 0.119432273 2 @@ -2040,6 +2118,20 @@ 1: GGA PW91 0 2 Ex -0.224783221 0.619420948 0.844204169 2 1: GGA PW91 0 3 Ex 0.043436674 0.447727434 0.404290760 2 1: GGA PW91 0 4 Ex 0.012048682 -0.163904114 0.175952796 2 +6: 1 4.800 0.002673091 -0.418441530 -0.418441528 -0.000000002 +6: 1 5.000 0.002092223 -0.382520889 -0.382520888 -0.000000001 +6: 1 5.200 0.001621280 -0.346003183 -0.346003181 -0.000000002 +6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000000 +6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 +6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 +6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000002 +6: 1 6.200 0.000389881 -0.207630641 -0.207630643 0.000000002 +7: 1 2.400 0.023179251 -0.789580695 -0.789580695 0.000000000 +7: 1 2.600 0.020455616 -0.758088403 -0.758088406 0.000000003 +7: 1 2.800 0.017872394 -0.725194479 -0.725194480 0.000000001 +7: 1 3.000 0.015460016 -0.691188323 -0.691188326 0.000000004 +7: 1 3.200 0.013240188 -0.656330566 -0.656330561 -0.000000005 +7: 1 3.400 0.011226266 -0.620864165 -0.620864164 -0.000000001 1: GGA PBE 0 1 Ex -0.205204735 -0.901817109 0.696612374 2 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 @@ -2159,48 +2251,6 @@ 1: GGA PBEGcGxHEG 0 3 Ex 0.054214558 0.085248079 0.031033521 2 1: GGA PBEGcGxHEG 0 4 Ex 0.022004781 -0.041489628 0.063494409 2 1: GGA PBESOL 0 1 Ex -0.822000728 -0.815116888 0.006883840 2 -6: 1 4.200 0.005250115 -0.520082870 -0.520082870 0.000000001 -6: 1 4.400 0.004234421 -0.487004137 -0.487004139 0.000000002 -6: 1 4.600 0.003381238 -0.453240679 -0.453240680 0.000000001 -6: 1 4.800 0.002673091 -0.418441530 -0.418441528 -0.000000002 -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 PBESOL 0 2 Ex -0.801416078 -0.808299917 0.006883839 2 1: GGA PBESOL 0 3 Ex 0.011402325 0.048145484 0.036743158 2 1: GGA PBESOL 0 4 Ex 0.004628013 -0.070589374 0.075217387 2 @@ -2222,6 +2272,23 @@ 1: GGA B88 0 4 Ex 0.026052299 -0.164995176 0.191047476 2 1: GGA C09 0 1 Ex -0.841332841 -0.834378491 0.006954351 2 1: GGA C09 0 2 Ex -0.957977822 -0.964932171 0.006954350 2 +7: 1 3.600 0.009423960 -0.585034090 -0.585034093 0.000000003 +7: 1 3.800 0.007832284 -0.549094197 -0.549094197 -0.000000000 +7: 1 4.000 0.006444664 -0.513309680 -0.513309680 -0.000000000 +7: 1 4.200 0.005250115 -0.477958213 -0.477958214 0.000000001 +7: 1 4.400 0.004234421 -0.443329016 -0.443329013 -0.000000003 +7: 1 4.600 0.003381238 -0.409718658 -0.409718659 0.000000001 +7: 1 4.800 0.002673091 -0.377422521 -0.377422522 0.000000001 +6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 +6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000001 +6: 1 6.800 0.000147033 -0.173510692 -0.173510693 0.000000002 +6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 +6: 1 7.200 0.000072999 -0.152957536 -0.152957539 0.000000003 +6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000005 +6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 +6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 +6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 +6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 1: GGA C09 0 3 Ex -0.064612418 -0.027339866 0.037272551 2 1: GGA C09 0 4 Ex -0.026225098 -0.102589972 0.076364874 2 1: GGA BH 0 1 Ex -0.785994404 -0.776770198 0.009224205 2 @@ -2305,6 +2372,12 @@ 1: GGA BH 0 1 Ex -0.629508995 -0.742361164 0.112852169 2 1: GGA BH 0 2 Ex -0.575659151 -0.462806949 0.112852202 2 1: GGA BH 0 3 Ex 0.021010093 0.088872585 0.067862493 2 +6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 +6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013 +6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 +6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 +6: 1 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 +6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 1: GGA BH 0 4 Ex 0.052353163 -0.032920267 0.085273430 2 1: 1: iSpin dens gradDens @@ -2392,57 +2465,13 @@ 1: 4 0.077120987 2.704032891 4.786634765 -4.768974305 1: GGA PW91 0 1 Ex -0.917493591 -0.932965023 0.015471432 2 1: GGA PW91 0 2 Ex -0.724878344 -0.709406901 0.015471443 2 -1: GGA PW91 0 3 Ex 0.317906206 0.321279947 0.003373741 2 -1: GGA PW91 0 4 Ex -0.072608953 -0.037316443 0.035292510 2 -6: 1 5.000 0.002092223 -0.382520889 -0.382520888 -0.000000001 -6: 1 5.200 0.001621280 -0.346003183 -0.346003181 -0.000000002 -6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000000 -6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 -6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 -6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000002 -6: 1 6.200 0.000389881 -0.207630641 -0.207630643 0.000000002 -6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 -6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000001 -6: 1 6.800 0.000147033 -0.173510692 -0.173510693 0.000000002 -6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 -6: 1 7.200 0.000072999 -0.152957536 -0.152957539 0.000000003 -6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000005 -6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 -6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 -6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000007 -6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 -6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 -6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013 -6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 -6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 -6: 1 9.200 0.000001206 -0.047188843 -0.047188796 -0.000000047 -6: 1 9.400 0.000000757 -0.040518186 -0.040518098 -0.000000088 -6: 1 9.600 0.000000470 -0.034645149 -0.034645055 -0.000000094 -6: 1 9.800 0.000000289 -0.029506017 -0.029505927 -0.000000089 -6: 1 10.000 0.000000176 -0.025033604 -0.025033523 -0.000000080 -7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 -7: 1 2.400 0.023179251 -0.789580695 -0.789580695 0.000000000 -7: 1 2.600 0.020455616 -0.758088403 -0.758088406 0.000000003 -7: 1 2.800 0.017872394 -0.725194479 -0.725194480 0.000000001 -7: 1 3.000 0.015460016 -0.691188323 -0.691188326 0.000000004 -7: 1 3.200 0.013240188 -0.656330566 -0.656330561 -0.000000005 -7: 1 3.400 0.011226266 -0.620864165 -0.620864164 -0.000000001 -7: 1 3.600 0.009423960 -0.585034090 -0.585034093 0.000000003 -7: 1 3.800 0.007832284 -0.549094197 -0.549094197 -0.000000000 -7: 1 4.000 0.006444664 -0.513309680 -0.513309680 -0.000000000 -7: 1 4.200 0.005250115 -0.477958213 -0.477958214 0.000000001 -7: 1 4.400 0.004234421 -0.443329016 -0.443329013 -0.000000003 -7: 1 4.600 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-0.047949450 -0.047949418 -0.000000032 1: GGA PBEJsJrHEG 0 3 Ex 0.026038384 -0.023533397 0.049571782 2 1: GGA PBEJsJrHEG 0 4 Ex 0.159967339 0.174779267 0.014811928 2 1: GGA PBEGcGxLO 0 1 Ex -1.066658168 -1.090099051 0.023440882 2 @@ -3523,10 +3618,12 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.015561745 -0.030895771 0.046457516 2 1: GGA PBEGcGxLO 0 4 Ex 0.095603895 0.109466511 0.013862617 2 1: GGA PBEGcGxHEG 0 1 Ex -0.985624273 -1.007260260 0.021635987 2 +7: 2 1.800 0.021174391 -0.806916840 -0.806916844 0.000000004 1: GGA PBEGcGxHEG 0 2 Ex -1.073811141 -1.052175152 0.021635989 2 1: GGA PBEGcGxHEG 0 3 Ex 0.026702432 -0.016080771 0.042783203 2 1: GGA PBEGcGxHEG 0 4 Ex 0.164046930 0.176826337 0.012779407 2 1: GGA PBESOL 0 1 Ex -1.066658168 -1.090099051 0.023440882 2 +6: 2 9.200 0.000000804 -0.041317198 -0.041317116 -0.000000081 1: GGA PBESOL 0 2 Ex -1.118052047 -1.094611163 0.023440885 2 1: GGA PBESOL 0 3 Ex 0.015561745 -0.030895771 0.046457516 2 1: GGA PBESOL 0 4 Ex 0.095603895 0.109466511 0.013862617 2 @@ -3543,6 +3640,8 @@ 1: GGA PW86 0 3 Ex -0.002434285 -0.117775649 0.115341364 2 1: GGA PW86 0 4 Ex -0.014955078 0.016510404 0.031465481 2 1: GGA B88 0 1 Ex -1.070948205 -1.117115903 0.046167698 2 +7: 2 2.000 0.019255418 -0.783153757 -0.783153761 0.000000004 +6: 2 9.400 0.000000504 -0.035452601 -0.035452510 -0.000000091 1: GGA B88 0 2 Ex -1.111849721 -1.065682019 0.046167702 2 1: GGA B88 0 3 Ex 0.012384723 -0.169284369 0.181669092 2 1: GGA B88 0 4 Ex 0.076085797 0.118065873 0.041980076 2 @@ -3566,6 +3665,9 @@ 1: GGA PW91 0 4 Ex -0.281825906 -0.159169778 0.122656128 2 1: GGA PBE 0 1 Ex -1.218515853 -1.380791947 0.162276094 2 1: GGA PBE 0 2 Ex -1.068651132 -0.906375056 0.162276076 2 +6: 2 9.600 0.000000313 -0.030299188 -0.030299098 -0.000000090 +6: 2 9.800 0.000000193 -0.025795893 -0.025795813 -0.000000081 +7: 2 2.200 0.017336125 -0.757597743 -0.757597741 -0.000000002 1: GGA PBE 0 3 Ex 0.029196787 0.210566890 0.181370103 2 1: GGA PBE 0 4 Ex -0.086519268 0.115229486 0.201748754 2 1: GGA RPBE 0 1 Ex -1.397627318 -1.566263964 0.168636646 2 @@ -3591,6 +3693,8 @@ 1: GGA PBEJsJrLO 0 1 Ex -1.159767487 -1.289668575 0.129901088 2 1: GGA PBEJsJrLO 0 2 Ex -1.069583293 -0.939682222 0.129901071 2 1: GGA PBEJsJrLO 0 3 Ex 0.017569770 0.159205929 0.141636159 2 +7: 2 2.400 0.015452834 -0.730277351 -0.730277348 -0.000000003 +6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: GGA PBEJsJrLO 0 4 Ex -0.052064758 0.108236129 0.160300887 2 1: GGA PBEJsJrHEG 0 1 Ex -1.113167924 -1.224855984 0.111688060 2 1: GGA PBEJsJrHEG 0 2 Ex -1.066066288 -0.954378244 0.111688043 2 @@ -3604,6 +3708,7 @@ 1: GGA PBEGcGxHEG 0 2 Ex -1.066666302 -0.967829975 0.098836327 2 1: GGA PBEGcGxHEG 0 3 Ex 0.004953127 0.114105059 0.109151931 2 1: GGA PBEGcGxHEG 0 4 Ex -0.014677675 0.107756623 0.122434298 2 +6: 2 10.200 0.000000071 -0.018492378 -0.018492315 -0.000000063 1: GGA PBESOL 0 1 Ex -1.123170186 -1.238615490 0.115445304 2 1: GGA PBESOL 0 2 Ex -1.068682229 -0.953236942 0.115445287 2 1: GGA PBESOL 0 3 Ex 0.010615396 0.134214133 0.123598738 2 @@ -3616,7 +3721,9 @@ 1: GGA AM05 0 3 Ec 0.002856326 -0.003975501 0.006831827 2 1: GGA AM05 0 4 Ex 0.135135345 0.263518777 0.128383432 2 1: GGA AM05 0 4 Ec -0.008464194 -0.015879647 0.007415453 2 +7: 2 2.600 0.013637077 -0.701421448 -0.701421449 0.000000001 1: GGA PW86 0 1 Ex -1.066620130 -1.301644842 0.235024712 2 +6: 2 10.400 0.000000042 -0.015573224 -0.015573163 -0.000000061 1: GGA PW86 0 2 Ex -1.009992828 -0.774968135 0.235024693 2 1: GGA PW86 0 3 Ex 0.011032185 0.261669442 0.250637257 2 1: GGA PW86 0 4 Ex -0.032691835 0.255437723 0.288129558 2 @@ -3628,7 +3735,9 @@ 1: GGA C09 0 2 Ex -1.076184699 -0.944415931 0.131768768 2 1: GGA C09 0 3 Ex 0.011681764 0.139540504 0.127858740 2 1: GGA C09 0 4 Ex -0.034616742 0.122652384 0.157269127 2 +7: 2 2.800 0.011914930 -0.671294327 -0.671294326 -0.000000001 1: GGA BH 0 1 Ex -1.105824030 -1.234500979 0.128676949 2 +6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 1: GGA BH 0 2 Ex -1.066137590 -0.937460660 0.128676930 2 1: GGA BH 0 3 Ex 0.007731750 0.135726757 0.127995007 2 1: GGA BH 0 4 Ex -0.022911608 0.131725736 0.154637343 2 @@ -3645,6 +3754,7 @@ 1: GGA PBE 0 1 Ex -0.953146068 -0.836211977 0.116934091 2 1: GGA PBE 0 2 Ex -1.364472804 -1.481406882 0.116934079 2 1: GGA PBE 0 3 Ex -0.074545102 0.304705127 0.379250228 2 +6: 2 10.800 0.000000015 -0.010928714 -0.010928690 -0.000000024 1: GGA PBE 0 4 Ex 0.053853149 0.132255034 0.078401885 2 1: GGA RPBE 0 1 Ex -0.864712493 -0.734551468 0.130161025 2 1: GGA RPBE 0 2 Ex -1.358884455 -1.489045467 0.130161012 2 @@ -3654,12 +3764,14 @@ 1: GGA revPBE 0 2 Ex -1.359294926 -1.487585919 0.128290993 2 1: GGA revPBE 0 3 Ex -0.089804761 0.364926893 0.454731654 2 1: GGA revPBE 0 4 Ex 0.064877089 0.204390893 0.139513804 2 +7: 2 3.000 0.010306678 -0.640127830 -0.640127826 -0.000000003 1: GGA LYP 0 1 Ex -0.876247866 -0.743890909 0.132356956 2 1: GGA LYP 0 1 Ec -0.121279256 -0.102906103 0.018373153 2 1: GGA LYP 0 2 Ex -1.361264612 -1.493621569 0.132356957 2 1: GGA LYP 0 2 Ec -0.035817283 -0.054190436 0.018373153 2 1: GGA LYP 0 3 Ex -0.087900006 0.358734346 0.446634352 2 1: GGA LYP 0 3 Ec 0.015488348 0.037360693 0.021872345 2 +6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 1: GGA LYP 0 4 Ex 0.063501049 0.176278588 0.112777540 2 1: GGA LYP 0 4 Ec -0.011189150 -0.051079264 0.039890115 2 1: GGA WC 0 1 Ex -0.897072577 -0.788700804 0.108371773 2 @@ -3669,6 +3781,7 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.912659716 -0.825376843 0.087282872 2 1: GGA PBEJsJrLO 0 2 Ex -1.371888845 -1.459171705 0.087282860 2 1: GGA PBEJsJrLO 0 3 Ex -0.083226494 0.222363018 0.305589512 2 +7: 2 3.200 0.008826792 -0.608140908 -0.608140904 -0.000000003 1: GGA PBEJsJrLO 0 4 Ex 0.060124793 0.149800368 0.089675575 2 1: GGA PBEJsJrHEG 0 1 Ex -0.964864754 -0.884324303 0.080540451 2 1: GGA PBEJsJrHEG 0 2 Ex -1.374943001 -1.455483439 0.080540438 2 @@ -3680,10 +3793,12 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.062080862 0.151810464 0.089729602 2 1: GGA PBEGcGxHEG 0 1 Ex -0.947280285 -0.878595496 0.068684789 2 1: GGA PBEGcGxHEG 0 2 Ex -1.377877435 -1.446562212 0.068684777 2 +6: 2 11.200 0.000000005 -0.007563161 -0.007563174 0.000000013 1: GGA PBEGcGxHEG 0 3 Ex -0.078037495 0.154342658 0.232380154 2 1: GGA PBEGcGxHEG 0 4 Ex 0.056376137 0.115738635 0.059362498 2 1: GGA PBESOL 0 1 Ex -0.901149359 -0.827021353 0.074128006 2 1: GGA PBESOL 0 2 Ex -1.375318817 -1.449446810 0.074127993 2 +7: 2 3.400 0.007484177 -0.575559240 -0.575559246 0.000000006 1: GGA PBESOL 0 3 Ex -0.085934143 0.183401279 0.269335421 2 1: GGA PBESOL 0 4 Ex 0.062080862 0.151810464 0.089729602 2 1: GGA AM05 0 1 Ex -0.848553718 -0.827630908 0.020922809 2 @@ -3702,9 +3817,11 @@ 1: GGA B88 0 2 Ex -1.359816324 -1.492092920 0.132276596 2 1: GGA B88 0 3 Ex -0.087736179 0.358671112 0.446407291 2 1: GGA B88 0 4 Ex 0.063382696 0.176152791 0.112770095 2 +6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 1: GGA C09 0 1 Ex -0.808993768 -0.742571384 0.066422383 2 1: GGA C09 0 2 Ex -1.375345706 -1.441768076 0.066422371 2 1: GGA C09 0 3 Ex -0.102640454 0.178280710 0.280921164 2 +7: 2 3.600 0.006282640 -0.542620903 -0.542620905 0.000000002 1: GGA C09 0 4 Ex 0.074149897 0.209344334 0.135194437 2 1: GGA BH 0 1 Ex -0.718784573 -0.643378841 0.075405732 2 1: GGA BH 0 2 Ex -1.370662366 -1.446068086 0.075405720 2 @@ -3718,7 +3835,9 @@ 1: 4 -0.006548443 0.325943013 -0.364291968 -0.266720325 1: GGA PW91 0 1 Ex -0.883408966 -1.010839277 0.127430311 2 1: GGA PW91 0 2 Ex -0.818971287 -0.691540979 0.127430308 2 +6: 2 11.600 0.000000002 -0.005161710 -0.005161583 -0.000000127 1: GGA PW91 0 3 Ex -0.075777018 -0.139442947 0.063665929 2 +6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000274 1: GGA PW91 0 4 Ex -0.048638216 0.134963727 0.183601943 2 1: GGA PBE 0 1 Ex -0.624497347 -0.564143567 0.060353780 2 1: GGA PBE 0 2 Ex -0.634058624 -0.694412405 0.060353781 2 @@ -3727,6 +3846,7 @@ 1: GGA RPBE 0 1 Ex -0.710782881 -0.686404091 0.024378790 2 1: GGA RPBE 0 2 Ex -0.742907104 -0.767285895 0.024378792 2 1: GGA RPBE 0 3 Ex 0.037777241 0.000677410 0.037099831 2 +7: 2 3.800 0.005221523 -0.509578436 -0.509578436 -0.000000000 1: GGA RPBE 0 4 Ex 0.024247690 0.065899270 0.041651580 2 1: GGA revPBE 0 1 Ex -0.682628221 -0.562562240 0.120065980 2 1: GGA revPBE 0 2 Ex -0.663680060 -0.783746041 0.120065981 2 @@ -3742,13 +3862,10 @@ 1: GGA LYP 0 4 Ec 0.002605460 0.468370682 0.465765222 2 1: GGA WC 0 1 Ex -0.610625431 -0.540613515 0.070011916 2 1: GGA WC 0 2 Ex -0.610507917 -0.680519834 0.070011917 2 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.04 sec 1: GGA WC 0 3 Ex -0.000138193 -0.083477500 0.083339307 2 1: GGA WC 0 4 Ex -0.000088701 0.083374513 0.083463214 2 1: GGA PBEJsJrLO 0 1 Ex -0.591288759 -0.516311251 0.074977509 2 -6: 2 2.400 0.015452834 -0.744951774 -0.744951773 -0.000000000 -6: 2 2.600 0.013637077 -0.718168689 -0.718168693 0.000000004 -6: 2 2.800 0.011914930 -0.690336837 -0.690336838 0.000000001 -6: 2 3.000 0.010306678 -0.661632866 -0.661632868 0.000000001 1: GGA PBEJsJrLO 0 2 Ex -0.591474279 -0.666451788 0.074977509 2 1: GGA PBEJsJrLO 0 3 Ex 0.000218166 -0.082854916 0.083073082 2 1: GGA PBEJsJrLO 0 4 Ex 0.000140032 0.079899176 0.079759144 2 @@ -3778,6 +3895,7 @@ 1: GGA AM05 0 4 Ec -0.004593393 -0.004932091 0.000338699 2 1: GGA PW86 0 1 Ex -0.541513776 -0.380577607 0.160936169 2 1: GGA PW86 0 2 Ex -0.557135520 -0.718071688 0.160936169 2 +7: 2 4.000 0.004296443 -0.476699712 -0.476699710 -0.000000003 1: GGA PW86 0 3 Ex 0.018370760 -0.091127441 0.109498201 2 1: GGA PW86 0 4 Ex 0.011791451 0.075779636 0.063988185 2 1: GGA B88 0 1 Ex -0.416960685 -0.050133498 0.366827187 2 @@ -3800,6 +3918,7 @@ 1: 4 0.007324747 0.867563760 -0.549408321 0.705307902 1: GGA PW91 0 1 Ex -0.590266368 -0.623814709 0.033548341 2 1: GGA PW91 0 2 Ex -1.136906978 -1.103358640 0.033548338 2 +7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 1: GGA PW91 0 3 Ex 0.104664881 -0.522181069 0.626845949 2 1: GGA PW91 0 4 Ex 0.103591577 0.825447542 0.721855965 2 1: GGA PBE 0 1 Ex -0.562947783 -0.533544325 0.029403458 2 @@ -3834,6 +3953,7 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.704154427 -0.724337749 0.020183323 2 1: GGA PBEJsJrHEG 0 3 Ex 0.024669065 -0.336275673 0.360944738 2 1: GGA PBEJsJrHEG 0 4 Ex 0.024416092 0.335848025 0.311431933 2 +7: 2 4.400 0.002822947 -0.412572354 -0.412572354 -0.000000000 1: GGA PBEGcGxLO 0 1 Ex -0.561010265 -0.530512133 0.030498132 2 1: GGA PBEGcGxLO 0 2 Ex -0.716164254 -0.746662389 0.030498135 2 1: GGA PBEGcGxLO 0 3 Ex 0.029707222 -0.340336976 0.370044197 2 @@ -3844,8 +3964,6 @@ 1: GGA PBEGcGxHEG 0 4 Ex 0.021864580 0.296156988 0.274292407 2 1: GGA PBESOL 0 1 Ex -0.561010265 -0.530512133 0.030498132 2 1: GGA PBESOL 0 2 Ex -0.716164254 -0.746662389 0.030498135 2 -7: 1 9.000 0.000001902 -0.049506694 -0.049507028 0.000000334 -7: 1 9.200 0.000001206 -0.043402831 -0.043404135 0.000001304 1: GGA PBESOL 0 3 Ex 0.029707222 -0.340336976 0.370044197 2 1: GGA PBESOL 0 4 Ex 0.029402584 0.322813225 0.293410642 2 1: GGA AM05 0 1 Ex -0.541167730 -0.469088180 0.072079549 2 @@ -3869,10 +3987,10 @@ 1: GGA C09 0 3 Ex 0.039634060 -0.291949408 0.331583467 2 1: GGA C09 0 4 Ex 0.039227625 0.235821106 0.196593480 2 1: GGA BH 0 1 Ex -0.533608971 -0.480206420 0.053402552 2 -7: 1 9.400 0.000000757 -0.038686660 -0.038688834 0.000002175 1: GGA BH 0 2 Ex -0.695786191 -0.749188746 0.053402555 2 1: GGA BH 0 3 Ex 0.031051955 -0.359369997 0.390421952 2 1: GGA BH 0 4 Ex 0.030733527 0.284301076 0.253567549 2 +7: 2 4.600 0.002254159 -0.381911080 -0.381911079 -0.000000000 1: 1: iSpin dens gradDens 1: 1 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0.072561660 0.072542433 0.000019228 2 1: GGA RPBE 0 4 Ex 0.030363393 0.030407530 0.000044138 2 @@ -4816,7 +4904,6 @@ 1: GGA revPBE 0 2 Ex -0.399755741 -0.397807660 0.001948081 2 1: GGA revPBE 0 3 Ex 0.043491372 0.028430666 0.015060706 2 1: GGA revPBE 0 4 Ex 0.018198944 0.052815313 0.034616369 2 -6: 2 9.600 0.000000313 -0.030299188 -0.030299098 -0.000000090 1: GGA LYP 0 1 Ex -0.284614100 -0.261890689 0.022723410 2 1: GGA LYP 0 1 Ec -1.661739002 -1.805519841 0.143780839 2 1: GGA LYP 0 2 Ex -0.295953364 -0.318676775 0.022723410 2 @@ -4824,6 +4911,7 @@ 1: GGA LYP 0 3 Ex -0.019191801 -0.061002477 0.041810676 2 1: GGA LYP 0 3 Ec -1.167701017 -1.582668498 0.414967481 2 1: GGA LYP 0 4 Ex -0.008030800 0.107929696 0.115960496 2 +7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA LYP 0 4 Ec -0.488623942 0.401547485 0.890171427 2 1: GGA WC 0 1 Ex -0.364468094 -0.365357441 0.000889347 2 1: GGA WC 0 2 Ex -0.334614775 -0.333725444 0.000889331 2 @@ -4843,10 +4931,9 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.016284344 0.041021645 0.024737301 2 1: GGA PBEGcGxHEG 0 1 Ex -0.316963927 -0.317683924 0.000719997 2 1: GGA PBEGcGxHEG 0 2 Ex -0.290186190 -0.289466207 0.000719983 2 -6: 2 9.800 0.000000193 -0.025795893 -0.025795813 -0.000000081 1: GGA PBEGcGxHEG 0 3 Ex 0.045321543 0.039765002 0.005556541 2 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA PBEGcGxHEG 0 4 Ex 0.018964778 0.031735359 0.012770581 2 -7: 2 2.200 0.017336125 -0.757597743 -0.757597741 -0.000000002 1: GGA PBESOL 0 1 Ex -0.347729282 -0.349119615 0.001390333 2 1: GGA PBESOL 0 2 Ex -0.324736245 -0.323345928 0.001390317 2 1: GGA PBESOL 0 3 Ex 0.038915909 0.028153869 0.010762040 2 @@ -4869,13 +4956,13 @@ 1: GGA B88 0 4 Ex -0.008031528 0.107925194 0.115956721 2 1: GGA C09 0 1 Ex -0.435654795 -0.437557034 0.001902239 2 1: GGA C09 0 2 Ex -0.407170231 -0.405268013 0.001902218 2 +7: 2 10.400 0.000000042 -0.024899792 -0.024901681 0.000001888 1: GGA C09 0 3 Ex 0.048210363 0.033997825 0.014212539 2 1: GGA C09 0 4 Ex 0.020173604 0.052795424 0.032621820 2 1: GGA BH 0 1 Ex -0.357682377 -0.354295471 0.003386906 2 1: GGA BH 0 2 Ex -0.356437320 -0.359824250 0.003386929 2 1: GGA BH 0 3 Ex 0.002107268 -0.021087600 0.023194868 2 1: GGA BH 0 4 Ex 0.000881785 0.058703400 0.057821615 2 -6: 2 10.000 0.000000117 -0.021880577 -0.021880500 -0.000000077 1: 1: iSpin dens gradDens 1: 1 1.329543175 -2.718844620 2.108228695 -5.750575277 @@ -4891,10 +4978,10 @@ 1: GGA PBE 0 3 Ex -0.013774326 -0.093033280 0.079258955 2 1: GGA PBE 0 4 Ex -0.054957256 0.097012110 0.151969366 2 1: GGA RPBE 0 1 Ex -1.259742281 -1.402860476 0.143118195 2 -7: 2 2.400 0.015452834 -0.730277351 -0.730277348 -0.000000003 1: GGA RPBE 0 2 Ex -1.130687950 -0.987569752 0.143118198 2 1: GGA RPBE 0 3 Ex -0.014796737 -0.108582813 0.093786076 2 1: GGA RPBE 0 4 Ex -0.059036508 0.120898636 0.179935144 2 +7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 1: GGA revPBE 0 1 Ex -1.263991282 -1.400896564 0.136905283 2 1: GGA revPBE 0 2 Ex -1.137362403 -1.000457117 0.136905286 2 1: GGA revPBE 0 3 Ex -0.014518647 -0.104248632 0.089729985 2 @@ -4911,7 +4998,6 @@ 1: GGA WC 0 2 Ex -1.193725291 -1.109114815 0.084610477 2 1: GGA WC 0 3 Ex -0.012569253 -0.068128053 0.055558800 2 1: GGA WC 0 4 Ex -0.050149217 0.056255554 0.106404771 2 -6: 2 10.200 0.000000071 -0.018492378 -0.018492315 -0.000000063 1: GGA PBEJsJrLO 0 1 Ex -1.295100762 -1.388016046 0.092915284 2 1: GGA PBEJsJrLO 0 2 Ex -1.174688917 -1.081773629 0.092915288 2 1: GGA PBEJsJrLO 0 3 Ex -0.013805832 -0.074708104 0.060902272 2 @@ -4927,7 +5013,7 @@ 1: GGA PBEGcGxHEG 0 1 Ex -1.309508942 -1.381896000 0.072387059 2 1: GGA PBEGcGxHEG 0 2 Ex -1.192674519 -1.120287457 0.072387062 2 1: GGA PBEGcGxHEG 0 3 Ex -0.013395662 -0.060851965 0.047456303 2 -7: 2 2.600 0.013637077 -0.701421448 -0.701421449 0.000000001 +7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 1: GGA PBEGcGxHEG 0 4 Ex -0.053446454 0.037567282 0.091013736 2 1: GGA PBESOL 0 1 Ex -1.304935024 -1.384291930 0.079356906 2 1: GGA PBESOL 0 2 Ex -1.185211952 -1.105855043 0.079356909 2 @@ -4939,7 +5025,6 @@ 1: GGA AM05 0 2 Ec -0.092607468 -0.096147126 0.003539659 2 1: GGA AM05 0 3 Ex -0.014183657 -0.039968468 0.025784812 2 1: GGA AM05 0 3 Ec 0.001117331 0.003456463 0.002339132 2 -6: 2 10.400 0.000000042 -0.015573224 -0.015573163 -0.000000061 1: GGA AM05 0 4 Ex -0.056590418 -0.006966041 0.049624377 2 1: GGA AM05 0 4 Ec 0.004457963 0.000002828 0.004455136 2 1: GGA PW86 0 1 Ex -1.223966475 -1.364923710 0.140957235 2 @@ -4974,8 +5059,6 @@ 1: GGA PBE 0 4 Ex 0.031197154 -0.114687058 0.145884212 2 1: GGA RPBE 0 1 Ex -0.714251132 -1.201817457 0.487566326 2 1: GGA RPBE 0 2 Ex -0.699133176 -0.211566833 0.487566344 2 -6: 2 10.600 0.000000025 -0.013068736 -0.013068683 -0.000000052 -7: 2 2.800 0.011914930 -0.671294327 -0.671294326 -0.000000001 1: GGA RPBE 0 3 Ex -0.009692300 -0.316594346 0.306902047 2 1: GGA RPBE 0 4 Ex 0.032363333 -0.173427864 0.205791197 2 1: GGA revPBE 0 1 Ex -0.714033071 -1.184031266 0.469998195 2 @@ -5003,7 +5086,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex -0.013500530 -0.152641717 0.139141188 2 1: GGA PBEJsJrHEG 0 4 Ex 0.045079306 -0.055137184 0.100216490 2 1: GGA PBEGcGxLO 0 1 Ex -0.749931807 -1.032603351 0.282671544 2 -6: 2 10.800 0.000000015 -0.010928714 -0.010928690 -0.000000024 1: GGA PBEGcGxLO 0 2 Ex -0.719660210 -0.436988650 0.282671560 2 1: GGA PBEGcGxLO 0 3 Ex -0.019407479 -0.219401610 0.199994132 2 1: GGA PBEGcGxLO 0 4 Ex 0.064803061 -0.061114454 0.125917515 2 @@ -5012,7 +5094,6 @@ 1: GGA PBEGcGxHEG 0 3 Ex -0.016230557 -0.157820345 0.141589788 2 1: GGA PBEGcGxHEG 0 4 Ex 0.054195076 -0.042426455 0.096621531 2 1: GGA PBESOL 0 1 Ex -0.749931807 -1.032603351 0.282671544 2 -7: 2 3.000 0.010306678 -0.640127830 -0.640127826 -0.000000003 1: GGA PBESOL 0 2 Ex -0.719660210 -0.436988650 0.282671560 2 1: GGA PBESOL 0 3 Ex -0.019407479 -0.219401610 0.199994132 2 1: GGA PBESOL 0 4 Ex 0.064803061 -0.061114454 0.125917515 2 @@ -5035,9 +5116,11 @@ 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 +7: 2 11.000 0.000000008 -0.020221667 -0.020223275 0.000001608 +7: 2 11.200 0.000000005 -0.018978407 -0.018979847 0.000001440 +7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 1: GGA C09 0 4 Ex 0.108512203 -0.054567661 0.163079864 2 1: GGA BH 0 1 Ex -0.663295800 -1.037195567 0.373899767 2 -6: 2 11.000 0.000000008 -0.009107337 -0.009107277 -0.000000060 1: GGA BH 0 2 Ex -0.601450911 -0.227551127 0.373899784 2 1: GGA BH 0 3 Ex -0.039649489 -0.428075572 0.388426082 2 1: GGA BH 0 4 Ex 0.132392689 -0.071264997 0.203657686 2 @@ -5060,7 +5143,6 @@ 1: GGA RPBE 0 3 Ex -0.016407655 -0.015865025 0.000542630 2 1: GGA RPBE 0 4 Ex -0.001644451 -0.072056598 0.070412147 2 1: GGA revPBE 0 1 Ex -0.780533852 -0.697925051 0.082608802 2 -7: 2 3.200 0.008826792 -0.608140908 -0.608140904 -0.000000003 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 @@ -5072,7 +5154,6 @@ 1: GGA LYP 0 3 Ec -0.428443114 -0.431350496 0.002907383 2 1: GGA LYP 0 4 Ex -0.000193038 -0.069521345 0.069328307 2 1: GGA LYP 0 4 Ec -0.042940542 -0.100815865 0.057875322 2 -6: 2 11.200 0.000000005 -0.007563161 -0.007563174 0.000000013 1: GGA WC 0 1 Ex -0.717043749 -0.664913871 0.052129878 2 1: GGA WC 0 2 Ex -0.720211114 -0.772340980 0.052129866 2 1: GGA WC 0 3 Ex 0.021242634 0.021571353 0.000328719 2 @@ -5092,9 +5173,9 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.672907041 -0.632636851 0.040270190 2 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 +7: 2 11.600 0.000000002 -0.016855994 -0.016857266 0.000001272 +7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 1: GGA PBEGcGxHEG 0 4 Ex 0.007620514 -0.024856845 0.032477359 2 -7: 2 3.400 0.007484177 -0.575559240 -0.575559246 0.000000006 -6: 2 11.400 0.000000003 -0.006258998 -0.006258965 -0.000000033 1: GGA PBESOL 0 1 Ex -0.709464318 -0.659509815 0.049954503 2 1: GGA PBESOL 0 2 Ex -0.711554197 -0.761508688 0.049954491 2 1: GGA PBESOL 0 3 Ex 0.014016237 0.014332207 0.000315970 2 @@ -5131,8 +5212,6 @@ 1: 4 -0.007665832 2.633900515 -2.895909240 -1.548457717 1: GGA PW91 0 1 Ex -1.102033100 -2.489476588 1.387443489 2 1: GGA PW91 0 2 Ex -0.969458784 0.417984703 1.387443486 2 -6: 2 11.600 0.000000002 -0.005161710 -0.005161583 -0.000000127 -6: avgDiffVxc, maxDiffVxc = 0.000000036 0.000000274 1: GGA PW91 0 3 Ex 0.034961174 -0.503281511 0.538242685 2 1: GGA PW91 0 4 Ex -0.044134296 1.613354161 1.657488458 2 1: GGA PBE 0 1 Ex -1.040397143 -2.499409642 1.459012499 2 @@ -5140,7 +5219,6 @@ 1: GGA PBE 0 3 Ex 0.015828622 -0.795967940 0.811796563 2 1: GGA PBE 0 4 Ex -0.019981741 1.528302342 1.548284082 2 1: GGA RPBE 0 1 Ex -1.196365778 -2.734500098 1.538134320 2 -7: 2 3.600 0.006282640 -0.542620903 -0.542620905 0.000000002 1: GGA RPBE 0 2 Ex -1.038871592 0.499262725 1.538134317 2 1: GGA RPBE 0 3 Ex 0.041532793 -0.519438207 0.560971000 2 1: GGA RPBE 0 4 Ex -0.052430179 1.813382857 1.865813035 2 @@ -5168,7 +5246,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.936651165 0.063434973 1.000086138 2 1: GGA PBEJsJrHEG 0 3 Ex 0.009103727 -0.546985503 0.556089230 2 1: GGA PBEJsJrHEG 0 4 Ex -0.011492365 1.050070573 1.061562938 2 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.08 sec 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 -1.028457731 1.041060157 2 @@ -5187,7 +5264,6 @@ 1: GGA AM05 0 2 Ec -0.061628481 -0.068557740 0.006929259 2 1: GGA AM05 0 3 Ex -0.004577441 -1.774182241 1.769604800 2 1: GGA AM05 0 3 Ec 0.000587873 0.003793604 0.003205731 2 -7: 2 3.800 0.005221523 -0.509578436 -0.509578436 -0.000000000 1: GGA AM05 0 4 Ex 0.005778471 2.204136467 2.198357995 2 1: GGA AM05 0 4 Ec -0.000742119 -0.008610031 0.007867912 2 1: GGA PW86 0 1 Ex -0.960317271 -2.927100843 1.966783572 2 @@ -5215,6 +5291,7 @@ 1: GGA PW91 0 1 Ex -0.671184559 -0.577949784 0.093234776 2 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 +4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.05 sec 1: GGA PW91 0 4 Ex -0.017867151 -0.015316494 0.002550658 2 1: GGA PBE 0 1 Ex -0.730473123 -0.633370919 0.097102204 2 1: GGA PBE 0 2 Ex -0.454846906 -0.551949143 0.097102238 2 @@ -5227,7 +5304,6 @@ 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 1: GGA revPBE 0 3 Ex -0.122304059 -0.215502682 0.093198623 2 -7: 2 4.000 0.004296443 -0.476699712 -0.476699710 -0.000000003 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 1: GGA LYP 0 1 Ec -0.166154741 -0.051074115 0.115080626 2 @@ -5258,7 +5334,6 @@ 1: GGA PBEGcGxHEG 0 3 Ex -0.202525486 -0.250694613 0.048169127 2 1: GGA PBEGcGxHEG 0 4 Ex -0.011324738 -0.009696506 0.001628232 2 1: GGA PBESOL 0 1 Ex -0.743478852 -0.676046838 0.067432014 2 -7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 1: GGA PBESOL 0 2 Ex -0.457783415 -0.525215460 0.067432045 2 1: GGA PBESOL 0 3 Ex -0.176559560 -0.231219609 0.054660049 2 1: GGA PBESOL 0 4 Ex -0.009872786 -0.008024996 0.001847789 2 @@ -5299,7 +5374,6 @@ 1: GGA PBE 0 1 Ex -0.863794508 -0.939054648 0.075260140 2 1: GGA PBE 0 2 Ex -0.832433475 -0.757173330 0.075260144 2 1: GGA PBE 0 3 Ex 0.033119472 0.011607983 0.021511489 2 -7: 2 4.400 0.002822947 -0.412572354 -0.412572354 -0.000000000 1: GGA PBE 0 4 Ex 0.003159713 -0.144849591 0.148009304 2 1: GGA RPBE 0 1 Ex -1.010149243 -1.080492032 0.070342789 2 1: GGA RPBE 0 2 Ex -0.948070596 -0.877727802 0.070342794 2 @@ -5330,7 +5404,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.012979395 -0.001757033 0.014736429 2 1: GGA PBEJsJrHEG 0 4 Ex 0.001238280 -0.100248650 0.101486929 2 1: GGA PBEGcGxLO 0 1 Ex -0.767811317 -0.858877138 0.091065821 2 -7: 2 4.600 0.002254159 -0.381911080 -0.381911079 -0.000000000 1: GGA PBEGcGxLO 0 2 Ex -0.729011932 -0.637946106 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 @@ -5373,7 +5446,6 @@ 1: 3 0.135633019 1.127327503 0.134189546 -2.855740799 1: 4 0.181246445 0.997097041 -0.203648005 0.244254264 1: GGA PW91 0 1 Ex -1.140850937 -1.119123627 0.021727311 2 -7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000001 1: GGA PW91 0 2 Ex -1.521246537 -1.542973841 0.021727304 2 1: GGA PW91 0 3 Ex 0.112009517 0.116128374 0.004118857 2 1: GGA PW91 0 4 Ex 0.149678351 0.118986954 0.030691398 2 @@ -5408,7 +5480,6 @@ 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 1: GGA PBEJsJrHEG 0 3 Ex -0.031664188 -0.043341941 0.011677754 2 -7: 2 5.000 0.001394815 -0.324805491 -0.324805493 0.000000001 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 1: GGA PBEGcGxLO 0 2 Ex -1.011780773 -0.993295979 0.018484794 2 @@ -5446,7 +5517,6 @@ 1: GGA BH 0 2 Ex -0.956684315 -0.923682177 0.033002138 2 1: GGA BH 0 3 Ex -0.030657432 -0.049023662 0.018366230 2 1: GGA BH 0 4 Ex -0.040967535 0.014712693 0.055680229 2 -7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 1: 1: iSpin dens gradDens 1: 1 0.367931918 -2.404481576 4.741359990 1.258495590 @@ -5486,7 +5556,6 @@ 1: GGA PBEJsJrLO 0 3 Ex 0.057235143 -0.004505228 0.061740372 2 1: GGA PBEJsJrLO 0 4 Ex -0.049482629 -0.141298963 0.091816334 2 1: GGA PBEJsJrHEG 0 1 Ex -0.997904592 -1.027380982 0.029476390 2 -7: 2 5.400 0.000829225 -0.274842954 -0.274842954 0.000000000 1: GGA PBEJsJrHEG 0 2 Ex -1.073663340 -1.044186958 0.029476382 2 1: GGA PBEJsJrHEG 0 3 Ex 0.064468990 0.026477539 0.037991451 2 1: GGA PBEJsJrHEG 0 4 Ex -0.055736649 -0.119712783 0.063976133 2 @@ -5532,7 +5601,6 @@ 1: 2 2.568329277 8.149221211 -0.312209698 -1.440012946 1: 3 -0.126592479 12.058289329 -11.617564323 11.789439544 1: 4 0.320771116 17.430078745 -0.016448054 1.428961562 -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 0.000000000 1: GGA PW91 0 1 Ex -1.720981196 -1.764512973 0.043531777 2 1: GGA PW91 0 2 Ex -1.655754041 -1.612222243 0.043531798 2 1: GGA PW91 0 3 Ex -0.005192576 -0.167910710 0.162718134 2 @@ -5572,7 +5640,6 @@ 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 1: GGA PBEGcGxLO 0 3 Ex 0.022478749 -0.120863849 0.143342598 2 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 1: GGA PBEGcGxLO 0 4 Ex -0.056958623 -0.195871655 0.138913033 2 1: GGA PBEGcGxHEG 0 1 Ex -1.418965545 -1.446639182 0.027673636 2 1: GGA PBEGcGxHEG 0 2 Ex -1.665853152 -1.638179498 0.027673654 2 @@ -5612,20 +5679,19 @@ 1: 2 3.591270409 -8.411850593 -3.539485568 13.755030724 1: 3 -0.640885002 16.777480291 -17.378439966 15.804675695 1: 4 -1.001922940 7.552258778 17.073982042 -18.620104507 -1: GGA PW91 0 1 Ex -0.187175185 -0.219538135 0.032362950 2 +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 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 1: GGA PW91 0 3 Ex 0.303447281 0.271426679 0.032020602 2 1: GGA PW91 0 4 Ex 0.474392116 0.546295044 0.071902928 2 -1: GGA PBE 0 1 Ex -0.650269148 -0.681636633 0.031367485 2 +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 1: GGA PBE 0 4 Ex 0.343448826 0.413140116 0.069691291 2 -1: GGA RPBE 0 1 Ex -0.649405323 -0.682783908 0.033378586 2 +1: GGA RPBE 0 1 Ex -0.649405323 -0.682783904 0.033378582 2 1: GGA RPBE 0 2 Ex -1.733830242 -1.700451668 0.033378574 2 1: GGA RPBE 0 3 Ex 0.218285329 0.185259746 0.033025583 2 1: GGA RPBE 0 4 Ex 0.341254793 0.415414286 0.074159493 2 -1: GGA revPBE 0 1 Ex -0.762980279 -0.795777759 0.032797480 2 +1: GGA revPBE 0 1 Ex -0.762980279 -0.795777756 0.032797477 2 1: GGA revPBE 0 2 Ex -1.748605737 -1.715808271 0.032797466 2 1: GGA revPBE 0 3 Ex 0.198397855 0.165947225 0.032450629 2 1: GGA revPBE 0 4 Ex 0.310163854 0.383032264 0.072868410 2 @@ -5637,28 +5703,27 @@ 1: GGA LYP 0 3 Ec -0.071837386 -0.024750325 0.047087062 2 1: GGA LYP 0 4 Ex -0.860944235 -0.740293801 0.120650434 2 1: GGA LYP 0 4 Ec -0.112306459 -0.093369665 0.018936794 2 -1: GGA WC 0 1 Ex -0.652252264 -0.678875418 0.026623155 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 1: GGA WC 0 3 Ex 0.222906541 0.196564939 0.026341602 2 1: GGA WC 0 4 Ex 0.348479331 0.407629819 0.059150488 2 -1: GGA PBEJsJrLO 0 1 Ex -0.652558449 -0.675043948 0.022485499 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 -1: GGA PBEJsJrHEG 0 1 Ex -0.588175428 -0.609788987 0.021613559 2 +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 1: GGA PBEJsJrHEG 0 4 Ex 0.368333417 0.416353736 0.048020320 2 -7: 2 6.200 0.000259921 -0.200780146 -0.200780146 0.000000000 -1: GGA PBEGcGxLO 0 1 Ex -0.653584522 -0.672227243 0.018642721 2 +1: GGA PBEGcGxLO 0 1 Ex -0.653584522 -0.672227240 0.018642718 2 1: GGA PBEGcGxLO 0 2 Ex -1.771699487 -1.753056780 0.018642707 2 1: GGA PBEGcGxLO 0 3 Ex 0.225066843 0.206621275 0.018445568 2 1: GGA PBEGcGxLO 0 4 Ex 0.351856624 0.393276432 0.041419808 2 -1: GGA PBEGcGxHEG 0 1 Ex -0.589084642 -0.607129709 0.018045067 2 +1: GGA PBEGcGxHEG 0 1 Ex -0.589084642 -0.607129706 0.018045064 2 1: GGA PBEGcGxHEG 0 2 Ex -1.766885239 -1.748840185 0.018045055 2 1: GGA PBEGcGxHEG 0 3 Ex 0.237081043 0.219226811 0.017854233 2 1: GGA PBEGcGxHEG 0 4 Ex 0.370638937 0.410730898 0.040091961 2 -1: GGA PBESOL 0 1 Ex -0.653584522 -0.672227243 0.018642721 2 +1: GGA PBESOL 0 1 Ex -0.653584522 -0.672227240 0.018642718 2 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 @@ -5670,19 +5735,19 @@ 1: GGA AM05 0 3 Ec -0.039851132 -0.038939216 0.000911916 2 1: GGA AM05 0 4 Ex -0.583988273 -0.549935886 0.034052388 2 1: GGA AM05 0 4 Ec -0.062300979 -0.064348702 0.002047723 2 -1: GGA PW86 0 1 Ex -2.564722354 -2.607157804 0.042435450 2 +1: GGA PW86 0 1 Ex -2.564722354 -2.607157800 0.042435446 2 1: GGA PW86 0 2 Ex -1.894772893 -1.852337458 0.042435435 2 1: GGA PW86 0 3 Ex -0.134855015 -0.182601762 0.047746748 2 1: GGA PW86 0 4 Ex -0.210824614 -0.112858402 0.097966212 2 -1: GGA B88 0 1 Ex -4.958931395 -4.971236193 0.012304797 2 +1: GGA B88 0 1 Ex -4.958931395 -4.971236189 0.012304794 2 1: GGA B88 0 2 Ex -2.220580221 -2.208275432 0.012304789 2 1: GGA B88 0 3 Ex -0.551206337 -0.709105910 0.157899573 2 1: GGA B88 0 4 Ex -0.861724447 -0.741172377 0.120552069 2 -1: GGA C09 0 1 Ex -0.767918902 -0.782567973 0.014649071 2 +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 1: GGA C09 0 4 Ex 0.322673189 0.355220035 0.032546846 2 -1: GGA BH 0 1 Ex -2.543064587 -2.557548010 0.014483423 2 +1: GGA BH 0 1 Ex -2.543064587 -2.557548005 0.014483418 2 1: GGA BH 0 2 Ex -1.987427897 -1.972944490 0.014483407 2 1: GGA BH 0 3 Ex -0.111844846 -0.131857126 0.020012280 2 1: GGA BH 0 4 Ex -0.174851832 -0.139038493 0.035813339 2 @@ -5693,7 +5758,6 @@ 1: 3 -0.000751955 -0.015586109 0.010806888 0.017335286 1: 4 0.001087707 -0.014591541 -0.011946978 -0.001932996 1: GGA PW91 0 1 Ex -0.244082467 -0.283760428 0.039677961 2 -7: 2 6.400 0.000189678 -0.188871729 -0.188871731 0.000000002 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 1: GGA PW91 0 4 Ex -0.138087027 -0.131221403 0.006865624 2 @@ -5728,7 +5792,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.214796340 -0.198601372 0.016194967 2 1: GGA PBEJsJrHEG 0 2 Ex -0.185185686 -0.201380676 0.016194990 2 1: GGA PBEJsJrHEG 0 3 Ex 0.024186557 0.029874652 0.005688094 2 -7: 2 6.600 0.000137039 -0.180551188 -0.180551190 0.000000003 1: GGA PBEJsJrHEG 0 4 Ex -0.034985973 -0.037907032 0.002921059 2 1: GGA PBEGcGxLO 0 1 Ex -0.221434781 -0.187905351 0.033529429 2 1: GGA PBEGcGxLO 0 2 Ex -0.200841629 -0.234371083 0.033529454 2 @@ -5774,7 +5837,6 @@ 1: 4 -0.001460531 0.042374336 -0.067166842 0.011900849 1: GGA PW91 0 1 Ex -0.545058835 -0.433270165 0.111788670 2 1: GGA PW91 0 2 Ex -0.526425191 -0.638213862 0.111788671 2 -7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA PW91 0 3 Ex -0.004899057 0.036621138 0.041520196 2 1: GGA PW91 0 4 Ex -0.012978556 -0.108900289 0.095921733 2 1: GGA PBE 0 1 Ex -0.487022156 -0.473796485 0.013225671 2 @@ -5806,7 +5868,6 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.013054732 0.176294639 0.189349371 2 1: GGA PBEJsJrLO 0 4 Ex -0.034584527 -0.116978307 0.082393780 2 1: GGA PBEJsJrHEG 0 1 Ex -0.427270594 -0.418208005 0.009062589 2 -7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000016 1: GGA PBEJsJrHEG 0 2 Ex -0.407571511 -0.416634098 0.009062587 2 1: GGA PBEJsJrHEG 0 3 Ex -0.005179177 0.101394813 0.106573990 2 1: GGA PBEJsJrHEG 0 4 Ex -0.013720648 -0.060455211 0.046734563 2 @@ -5848,7 +5909,6 @@ 1: GGA BH 0 4 Ex -0.023190163 -0.096961674 0.073771511 2 1: 1: iSpin dens gradDens -7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: 1 1.108215499 7.558350274 -1.970271645 3.111955495 1: 2 0.886843880 -7.748366575 -8.139511163 -4.972538492 1: 3 -0.121908398 6.612686703 2.470174092 2.362156981 @@ -5889,7 +5949,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -1.246776836 -1.323067408 0.076290573 2 1: GGA PBEJsJrHEG 0 3 Ex 0.019752634 0.010007340 0.009745295 2 1: GGA PBEJsJrHEG 0 4 Ex 0.113043826 0.126850056 0.013806230 2 -7: 2 7.400 0.000033779 -0.163293898 -0.163293895 -0.000000004 1: GGA PBEGcGxLO 0 1 Ex -1.292686123 -1.210730703 0.081955420 2 1: GGA PBEGcGxLO 0 2 Ex -1.269112937 -1.351068342 0.081955405 2 1: GGA PBEGcGxLO 0 3 Ex 0.012981652 -0.000356246 0.013337898 2 @@ -5926,7 +5985,6 @@ 1: GGA BH 0 2 Ex -1.218560337 -1.318791052 0.100230716 2 1: GGA BH 0 3 Ex 0.015241821 -0.010482323 0.025724144 2 1: GGA BH 0 4 Ex 0.087228555 0.107624911 0.020396356 2 -7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: 1: iSpin dens gradDens 1: 1 0.073070519 -0.356403759 0.796148017 0.801081453 @@ -5952,6 +6010,7 @@ 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 1: GGA LYP 0 2 Ex -0.550240557 -0.441504145 0.108736413 2 +5/9 Test #5: libgridxc_test6 .................. Passed 0.06 sec 1: GGA LYP 0 2 Ec -0.071466379 -0.024220576 0.047245803 2 1: GGA LYP 0 3 Ex -0.008166070 -0.469204497 0.461038427 2 1: GGA LYP 0 3 Ec 0.079250964 0.250227270 0.170976306 2 @@ -5969,7 +6028,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.588291331 -0.502080209 0.086211122 2 1: GGA PBEJsJrHEG 0 3 Ex 0.019430233 -0.100739493 0.120169725 2 1: GGA PBEJsJrHEG 0 4 Ex -0.020297460 0.068135031 0.088432491 2 -7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA PBEGcGxLO 0 1 Ex -0.689628726 -0.780826007 0.091197281 2 1: GGA PBEGcGxLO 0 2 Ex -0.570825594 -0.479628309 0.091197285 2 1: GGA PBEGcGxLO 0 3 Ex 0.024093598 -0.139276830 0.163370428 2 @@ -6016,7 +6074,6 @@ 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 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 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 @@ -6050,7 +6107,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.187891112 0.178504485 0.009386627 2 1: GGA PBEJsJrHEG 0 4 Ex -0.240548327 -0.253978858 0.013430531 2 1: GGA PBEGcGxLO 0 1 Ex -1.170082379 -1.195035632 0.024953253 2 -7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 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 1: GGA PBEGcGxLO 0 4 Ex -0.191172882 -0.202510984 0.011338101 2 @@ -6095,7 +6151,6 @@ 1: GGA PW91 0 1 Ex -0.152422240 -0.249734481 0.097312241 2 1: GGA PW91 0 2 Ex -0.214076181 -0.116763947 0.097312235 2 1: GGA PW91 0 3 Ex -0.020075459 0.085515986 0.105591445 2 -7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 1: GGA PW91 0 4 Ex 0.065359967 0.143689849 0.078329881 2 1: GGA PBE 0 1 Ex -0.343064731 -0.447602153 0.104537422 2 1: GGA PBE 0 2 Ex -0.292931973 -0.188394558 0.104537415 2 @@ -6131,7 +6186,6 @@ 1: GGA PBEJsJrHEG 0 4 Ex -0.026766481 0.031187600 0.057954081 2 1: GGA PBEGcGxLO 0 1 Ex -0.340586358 -0.420208810 0.079622452 2 1: GGA PBEGcGxLO 0 2 Ex -0.291087767 -0.211465322 0.079622445 2 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 1: GGA PBEGcGxLO 0 3 Ex 0.016117493 0.102879247 0.086761754 2 1: GGA PBEGcGxLO 0 4 Ex -0.052473957 0.011728976 0.064202933 2 1: GGA PBEGcGxHEG 0 1 Ex -0.307839039 -0.374092541 0.066253502 2 @@ -6182,7 +6236,6 @@ 1: GGA PW91 0 4 Ec 0.005193304 0.005196369 0.000003065 2 1: GGA PBE 0 1 Ex -1.226967096 -1.508537841 0.281570745 2 1: GGA PBE 0 2 Ex -1.202605243 -0.921034495 0.281570748 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA PBE 0 3 Ex -0.011003386 -0.646993630 0.635990244 2 1: GGA PBE 0 4 Ex -0.022625262 0.438268347 0.460893608 2 1: GGA RPBE 0 1 Ex -1.140546303 -1.497151326 0.356605023 2 @@ -6219,7 +6272,6 @@ 1: GGA PBEGcGxLO 0 4 Ex -0.051537090 0.290509637 0.342046728 2 1: GGA PBEGcGxHEG 0 1 Ex -1.261699996 -1.435007254 0.173307258 2 1: GGA PBEGcGxHEG 0 2 Ex -1.219548986 -1.046241724 0.173307261 2 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA PBEGcGxHEG 0 3 Ex -0.019038118 -0.421468478 0.402430360 2 1: GGA PBEGcGxHEG 0 4 Ex -0.039146349 0.249873040 0.289019390 2 1: GGA PBESOL 0 1 Ex -1.228084636 -1.426580037 0.198495401 2 @@ -6262,7 +6314,6 @@ 1: GGA PW91 0 4 Ex 0.075167424 0.321034757 0.245867333 2 1: GGA PBE 0 1 Ex -0.334348273 -0.339364580 0.005016307 2 1: GGA PBE 0 2 Ex -0.355841555 -0.350825250 0.005016306 2 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA PBE 0 3 Ex -0.015080285 -0.026850091 0.011769806 2 1: GGA PBE 0 4 Ex 0.006830387 -0.011262875 0.018093262 2 1: GGA RPBE 0 3 Ex -0.026056172 -0.026057502 0.000001329 2 @@ -6303,7 +6354,6 @@ 1: GGA PBESOL 0 2 Ex -0.338904457 -0.330703946 0.008200511 2 1: GGA PBESOL 0 3 Ex -0.008233024 -0.027286425 0.019053401 2 1: GGA PBESOL 0 4 Ex 0.003729023 -0.025435232 0.029164256 2 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002261 1: GGA AM05 0 1 Ex -0.229024113 -0.423765091 0.194740978 2 1: GGA AM05 0 1 Ec -0.038802762 -0.038774051 0.000028711 2 1: GGA AM05 0 2 Ex -0.211077272 -0.016336294 0.194740978 2 @@ -6352,7 +6402,6 @@ 1: GGA revPBE 0 4 Ex -0.005040212 0.731502477 0.736542689 2 1: GGA LYP 0 1 Ex -1.133881699 -1.035954579 0.097927120 2 1: GGA LYP 0 1 Ec -0.053860989 -0.069756163 0.015895174 2 -7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002249 1: GGA LYP 0 2 Ex -1.020773956 -1.118701076 0.097927120 2 1: GGA LYP 0 2 Ec -0.143334934 -0.127439760 0.015895174 2 1: GGA LYP 0 3 Ex -0.066302751 -0.272431890 0.206129140 2 @@ -6385,7 +6434,6 @@ 1: GGA PBESOL 0 4 Ex -0.008197213 0.423520204 0.431717417 2 1: GGA AM05 0 1 Ex -1.160770277 -1.099293617 0.061476660 2 1: GGA AM05 0 1 Ec -0.078195728 -0.078431292 0.000235564 2 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA AM05 0 2 Ex -0.974883379 -1.036360038 0.061476660 2 1: GGA AM05 0 2 Ec -0.079197104 -0.078961540 0.000235564 2 1: GGA AM05 0 3 Ex -0.108965242 -0.199806429 0.090841187 2 @@ -6429,7 +6477,6 @@ 1: GGA revPBE 0 1 Ex -0.545810563 -0.564479900 0.018669337 2 1: GGA revPBE 0 2 Ex -0.475522498 -0.456853136 0.018669361 2 1: GGA revPBE 0 3 Ex -0.002334499 0.094886227 0.097220725 2 -7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA revPBE 0 4 Ex 0.042924249 0.032926302 0.009997947 2 1: GGA LYP 0 1 Ex -0.428676812 -0.392677077 0.035999735 2 1: GGA LYP 0 1 Ec -0.218876235 -0.338384044 0.119507809 2 @@ -6464,7 +6511,6 @@ 1: GGA PBESOL 0 3 Ex 0.000036687 0.061461258 0.061424571 2 1: GGA PBESOL 0 4 Ex -0.000674557 -0.006969222 0.006294665 2 1: GGA AM05 0 1 Ex -0.363304547 -0.339218654 0.024085893 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA AM05 0 1 Ec -0.075868526 -0.075781094 0.000087432 2 1: GGA AM05 0 2 Ex -0.393619556 -0.417705449 0.024085893 2 1: GGA AM05 0 2 Ec -0.041663762 -0.041751194 0.000087432 2 @@ -6508,7 +6554,6 @@ 1: GGA RPBE 0 4 Ex -0.037711228 1.870180503 1.907891730 2 1: GGA revPBE 0 1 Ex -1.294580782 0.161103927 1.455684709 2 1: GGA revPBE 0 2 Ex -1.322834252 -2.778518957 1.455684705 2 -7: 2 10.400 0.000000042 -0.024899792 -0.024901681 0.000001888 1: GGA revPBE 0 3 Ex 0.072233296 0.226241905 0.154008609 2 1: GGA revPBE 0 4 Ex -0.014533872 2.165794328 2.180328200 2 1: GGA LYP 0 1 Ex -1.182630974 0.573172503 1.755803477 2 @@ -6547,7 +6592,6 @@ 1: GGA AM05 0 1 Ec -0.081444000 -0.181512764 0.100068764 2 1: GGA AM05 0 2 Ex -1.105306579 -1.720134214 0.614827635 2 1: GGA AM05 0 2 Ec -0.079028782 0.021039981 0.100068763 2 -7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 1: GGA AM05 0 3 Ex -0.124452488 -0.091685863 0.032766625 2 1: GGA AM05 0 3 Ec -0.006174787 -0.021587749 0.015412963 2 1: GGA AM05 0 4 Ex 0.025040758 0.785495237 0.760454478 2 @@ -6596,7 +6640,6 @@ 1: GGA LYP 0 2 Ec -1.984218608 -1.975766046 0.008452561 2 1: GGA LYP 0 3 Ex 0.124886383 0.088619101 0.036267282 2 1: GGA LYP 0 3 Ec 0.483300532 0.614895810 0.131595278 2 -7: 2 10.800 0.000000015 -0.021608555 -0.021610223 0.000001668 1: GGA LYP 0 4 Ex 0.083551923 0.015665238 0.067886685 2 1: GGA LYP 0 4 Ec 0.323339404 0.139460178 0.183879226 2 1: GGA WC 0 1 Ex -0.580606333 -0.545750416 0.034855917 2 @@ -6633,7 +6676,6 @@ 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 1: GGA PW86 0 2 Ex -0.848793685 -0.902324681 0.053530995 2 -7: 2 11.000 0.000000008 -0.020221667 -0.020223275 0.000001608 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 1: GGA B88 0 1 Ex -0.661227215 -0.580723191 0.080504024 2 @@ -6685,7 +6727,6 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.253102305 -0.260534991 0.007432686 2 1: GGA PBEJsJrLO 0 2 Ex -0.329198173 -0.321765462 0.007432712 2 1: GGA PBEJsJrLO 0 3 Ex 0.021384309 0.004041076 0.017343233 2 -7: 2 11.200 0.000000005 -0.018978407 -0.018979847 0.000001440 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 @@ -6720,7 +6761,6 @@ 1: GGA B88 0 3 Ex -0.006845983 -0.064973779 0.058127796 2 1: GGA B88 0 4 Ex 0.012349941 -0.051229100 0.063579041 2 1: GGA C09 0 1 Ex -0.308813310 -0.324601091 0.015787780 2 -7: 2 11.400 0.000000003 -0.017861495 -0.017862916 0.000001421 1: GGA C09 0 2 Ex -0.375544496 -0.359756684 0.015787811 2 1: GGA C09 0 3 Ex 0.018752665 -0.018110031 0.036862695 2 1: GGA C09 0 4 Ex -0.033829226 -0.069834868 0.036005642 2 @@ -6763,8 +6803,6 @@ 1: GGA WC 0 3 Ex -0.053000628 -0.393333178 0.340332550 2 1: GGA WC 0 4 Ex 0.008650805 -0.758955039 0.767605844 2 1: GGA PBEJsJrLO 0 1 Ex -0.993968463 -1.485434010 0.491465547 2 -7: 2 11.600 0.000000002 -0.016855994 -0.016857266 0.000001272 -7: avgDiffVxc, maxDiffVxc = 0.000000680 0.000002261 1: GGA PBEJsJrLO 0 2 Ex -1.044604280 -0.553138719 0.491465561 2 1: GGA PBEJsJrLO 0 3 Ex -0.054968279 -0.416938921 0.361970643 2 1: GGA PBEJsJrLO 0 4 Ex 0.008971966 -0.821840733 0.830812700 2 @@ -6816,7 +6854,6 @@ 1: 4 -0.008856395 0.873774891 0.081494458 1.159089166 1: GGA PW91 0 1 Ex -0.603321935 -0.650428059 0.047106124 2 1: GGA PW91 0 2 Ex -0.151588067 -0.104481951 0.047106115 2 -4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.11 sec 1: GGA PW91 0 3 Ex -0.301242477 -0.275267960 0.025974518 2 1: GGA PW91 0 4 Ex 0.026553186 -0.079463772 0.106016957 2 1: GGA PBE 0 1 Ex -0.649805950 -0.694938092 0.045132142 2 @@ -7368,7 +7405,6 @@ 1: GGA revPBE 0 1 Ex -1.092624724 -1.056198603 0.036426121 2 1: GGA revPBE 0 2 Ex -0.991968100 -1.028394212 0.036426112 2 1: GGA revPBE 0 3 Ex 0.099099548 0.028095604 0.071003944 2 -5/9 Test #5: libgridxc_test6 .................. Passed 0.13 sec 1: GGA revPBE 0 4 Ex 0.166694545 0.219904002 0.053209457 2 1: GGA LYP 0 1 Ex -0.825581647 -0.805385239 0.020196408 2 1: GGA LYP 0 1 Ec -0.576086010 -0.543969247 0.032116763 2 @@ -9396,7 +9432,7 @@ 1: GGA revPBE 0 2 Ex -1.609132434 -1.586787187 0.022345248 2 1: GGA revPBE 0 3 Ex -0.097358450 -0.089434280 0.007924170 2 1: GGA revPBE 0 4 Ex 0.050147058 0.225498708 0.175351650 2 -1: GGA LYP 0 1 Ex -2.162622856 -2.184724782 0.022101925 2 +1: GGA LYP 0 1 Ex -2.162622856 -2.184724778 0.022101922 2 1: GGA LYP 0 1 Ec -0.389580178 -0.404057081 0.014476903 2 1: GGA LYP 0 2 Ex -1.657115678 -1.635013756 0.022101922 2 1: GGA LYP 0 2 Ec -0.047515105 -0.033038203 0.014476902 2 @@ -9457,18 +9493,7 @@ 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 0.19 sec -4: -4: funcs= VDW -4: auths= BH -4: dr, dx, Ecut = 0.024000 0.408248 59.217626 -4: rMax, rBuff = 12.000000 3.000000 -4: atomEx, cellEx, diff = -4.299743248 -4.299745396 0.000002148 -4: atomEc, cellEc, diff = -0.679499275 -0.679753307 0.000254032 -4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 -4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 -4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291 -7/9 Test #4: libgridxc_test4 .................. Passed 14.73 sec +6/9 Test #1: libgridxc_test1 .................. Passed 0.11 sec 2: 2: funcs= VDW 2: auths= BH @@ -9477,66 +9502,66 @@ 2: 1 0.000 0.047620227 -0.999477920 2: 1 0.200 0.047382720 -0.999360161 -1.000195026 0.000834865 2: 1 0.400 0.046677283 -0.999006885 -0.998709202 -0.000297683 -3: Ex, Ec = -3.716289981 -0.771674483 -3: Dx, Dc = 1.192543612 0.121155159 -2: 1 0.600 0.045524817 -0.987412253 -0.987508059 0.000095805 +2: 1 0.600 0.045524817 -0.987412253 -0.987507999 0.000095746 2: 1 0.800 0.043959010 -0.980158453 -0.980143398 -0.000015055 2: 1 1.000 0.042024703 -0.963929151 -0.963927492 -0.000001659 -2: 1 1.200 0.039775757 -0.949006509 -0.949005827 -0.000000682 +3: Ex, Ec = -3.716289981 -0.771674483 +3: Dx, Dc = 1.192543612 0.121155159 +2: 1 1.200 0.039775757 -0.949006509 -0.949005812 -0.000000697 2: 1 1.400 0.037272568 -0.929353368 -0.929356359 0.000002991 -3: i1 i2 i3 iSpin Vxc dExc/dDens diff -3: 2 8 13 2 -0.313847006 -0.313846988 -0.000000018 2: 1 1.600 0.034579382 -0.908100586 -0.908099063 -0.000001523 2: 1 1.800 0.031761587 -0.884442948 -0.884442165 -0.000000783 2: 1 2.000 0.028883127 -0.858808538 -0.858809374 0.000000836 2: 1 2.200 0.026004187 -0.831341143 -0.831341125 -0.000000017 +3: i1 i2 i3 iSpin Vxc dExc/dDens diff +3: 2 8 13 2 -0.313847006 -0.313846990 -0.000000016 2: 1 2.400 0.023179251 -0.802320622 -0.802320395 -0.000000227 -3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 -2: 1 2.600 0.020455616 -0.772056571 -0.772056926 0.000000355 +2: 1 2.600 0.020455616 -0.772056571 -0.772056924 0.000000353 2: 1 2.800 0.017872394 -0.740675199 -0.740674874 -0.000000326 2: 1 3.000 0.015460016 -0.708430779 -0.708429554 -0.000001224 2: 1 3.200 0.013240188 -0.675669578 -0.675674006 0.000004429 2: 1 3.400 0.011226266 -0.642459702 -0.642454691 -0.000005011 -3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 2: 1 3.600 0.009423960 -0.609091304 -0.609092448 0.000001144 +3: 4 2 23 2 -0.524218962 -0.524218950 -0.000000011 2: 1 3.800 0.007832284 -0.575839731 -0.575841531 0.000001800 2: 1 4.000 0.006444664 -0.542697531 -0.542696462 -0.000001069 2: 1 4.200 0.005250115 -0.510078329 -0.510077513 -0.000000816 2: 1 4.400 0.004234421 -0.478003232 -0.478007540 0.000004308 -3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005 2: 1 4.600 0.003381238 -0.446577649 -0.446566566 -0.000011083 2: 1 4.800 0.002673091 -0.416186718 -0.416202730 0.000016011 -2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009631 +3: 5 6 2 1 -0.626312320 -0.626312325 0.000000005 +2: 1 5.000 0.002092223 -0.386734472 -0.386724842 -0.000009630 2: 1 5.200 0.001621280 -0.359258071 -0.359253814 -0.000004257 -2: 1 5.400 0.001243837 -0.329009264 -0.329019030 0.000009766 -3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 +2: 1 5.400 0.001243837 -0.329009264 -0.329019031 0.000009767 2: 1 5.600 0.000944766 -0.268263860 -0.268258610 -0.000005250 2: 1 5.800 0.000710460 -0.184072378 -0.184073422 0.000001044 2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000604 +3: 4 2 9 2 -0.561691010 -0.561691005 -0.000000005 2: 1 6.200 0.000389881 -0.169127143 -0.169125287 -0.000001857 2: 1 6.400 0.000284517 -0.195915387 -0.195917509 0.000002122 -3: 1 2 0 2 -0.680189858 -0.680189871 0.000000013 2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000676 2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001066 2: 1 7.000 0.000104122 -0.189565923 -0.189567430 0.000001507 -2: 1 7.200 0.000072999 -0.181016372 -0.181015280 -0.000001093 +2: 1 7.200 0.000072999 -0.181016372 -0.181015279 -0.000001093 +3: 7 3 21 1 -0.491741169 -0.491741176 0.000000007 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001107 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001310 2: 1 8.000 0.000015954 -0.142174017 -0.142175066 0.000001050 2: 1 8.200 0.000010638 -0.126477393 -0.126473509 -0.000003883 2: 1 8.400 0.000007022 -0.110553043 -0.110555104 0.000002060 +3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 2: 1 8.600 0.000004589 -0.096226748 -0.096227608 0.000000861 2: 1 8.800 0.000002969 -0.084195519 -0.084194595 -0.000000924 2: 1 9.000 0.000001902 -0.074352560 -0.074354361 0.000001801 2: 1 9.200 0.000001206 -0.066227937 -0.066230345 0.000002408 2: 1 9.400 0.000000757 -0.059254673 -0.059259092 0.000004419 2: 1 9.600 0.000000470 -0.053256096 -0.053258876 0.000002780 -2: 1 9.800 0.000000289 -0.047889328 -0.047892333 0.000003005 -2: 1 10.000 0.000000176 -0.043050812 -0.043053583 0.000002771 +2: 1 9.800 0.000000289 -0.047889328 -0.047892332 0.000003004 +2: 1 10.000 0.000000176 -0.043050812 -0.043053581 0.000002770 2: 1 10.200 0.000000106 -0.038722914 -0.038725315 0.000002401 2: 1 10.400 0.000000063 -0.034770816 -0.034772940 0.000002124 -2: 1 10.600 0.000000037 -0.031177334 -0.031179205 0.000001871 +2: 1 10.600 0.000000037 -0.031177334 -0.031179208 0.000001875 2: 1 10.800 0.000000022 -0.027908137 -0.027909793 0.000001656 2: 1 11.000 0.000000013 -0.024937534 -0.024938986 0.000001452 2: 1 11.200 0.000000007 -0.022242269 -0.022243485 0.000001216 @@ -9546,7 +9571,7 @@ 2: iSpin r dens Vxc dExc/dDens diff 2: 2 0.000 0.031746818 -0.915508806 2: 2 0.200 0.031588480 -0.915751674 -0.916585922 0.000834248 -2: 2 0.400 0.031118189 -0.916480278 -0.916182637 -0.000297641 +2: 2 0.400 0.031118189 -0.916480278 -0.916182876 -0.000297402 2: 2 0.600 0.030349878 -0.905234497 -0.905330241 0.000095744 2: 2 0.800 0.029306007 -0.899618247 -0.899603188 -0.000015059 2: 2 1.000 0.028016469 -0.884545454 -0.884543777 -0.000001678 @@ -9555,11 +9580,11 @@ 2: 2 1.600 0.023052921 -0.835057592 -0.835056067 -0.000001525 2: 2 1.800 0.021174391 -0.813963082 -0.813962307 -0.000000775 2: 2 2.000 0.019255418 -0.791103995 -0.791104838 0.000000843 -2: 2 2.200 0.017336125 -0.766590785 -0.766590763 -0.000000022 +2: 2 2.200 0.017336125 -0.766590785 -0.766590767 -0.000000019 2: 2 2.400 0.015452834 -0.740674175 -0.740673952 -0.000000223 2: 2 2.600 0.013637077 -0.713633471 -0.713633830 0.000000358 -2: 2 2.800 0.011914930 -0.685564496 -0.685564170 -0.000000327 -2: 2 3.000 0.010306678 -0.656691901 -0.656690678 -0.000001223 +2: 2 2.800 0.011914930 -0.685564496 -0.685564177 -0.000000319 +2: 2 3.000 0.010306678 -0.656691901 -0.656690674 -0.000001227 2: 2 3.200 0.008826792 -0.627334141 -0.627338570 0.000004429 2: 2 3.400 0.007484177 -0.597534542 -0.597529527 -0.000005015 2: 2 3.600 0.006282640 -0.567562765 -0.567563909 0.000001144 @@ -9568,7 +9593,7 @@ 2: 2 4.200 0.003500077 -0.478500307 -0.478499491 -0.000000816 2: 2 4.400 0.002822947 -0.449602251 -0.449606559 0.000004309 2: 2 4.600 0.002254159 -0.421308745 -0.421297663 -0.000011082 -2: 2 4.800 0.001782061 -0.394081537 -0.394097550 0.000016013 +2: 2 4.800 0.001782061 -0.394081537 -0.394097551 0.000016013 2: 2 5.000 0.001394815 -0.368503162 -0.368493534 -0.000009629 2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004257 2: 2 5.400 0.000829225 -0.277895720 -0.277905487 0.000009767 @@ -9580,8 +9605,8 @@ 2: 2 6.600 0.000137039 -0.206427971 -0.206427295 -0.000000676 2: 2 6.800 0.000098022 -0.195576084 -0.195575020 -0.000001064 2: 2 7.000 0.000069415 -0.184792808 -0.184794315 0.000001507 -2: 2 7.200 0.000048666 -0.176119925 -0.176118834 -0.000001092 -2: 2 7.400 0.000033779 -0.169045503 -0.169046255 0.000000752 +2: 2 7.200 0.000048666 -0.176119925 -0.176118833 -0.000001092 +2: 2 7.400 0.000033779 -0.169045503 -0.169046254 0.000000751 2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001102 2: 2 7.800 0.000015792 -0.151793526 -0.151794848 0.000001322 2: 2 8.000 0.000010636 -0.138751509 -0.138752581 0.000001072 @@ -9592,19 +9617,30 @@ 2: 2 9.000 0.000001268 -0.072533230 -0.072536399 0.000003169 2: 2 9.200 0.000000804 -0.064613896 -0.064617440 0.000003544 2: 2 9.400 0.000000504 -0.057796389 -0.057800206 0.000003817 -2: 2 9.600 0.000000313 -0.051913010 -0.051915903 0.000002893 +2: 2 9.600 0.000000313 -0.051913010 -0.051915902 0.000002892 2: 2 9.800 0.000000193 -0.046631823 -0.046634642 0.000002819 2: 2 10.000 0.000000117 -0.041859516 -0.041862067 0.000002550 -2: 2 10.200 0.000000071 -0.037586671 -0.037588902 0.000002231 -2: 2 10.400 0.000000042 -0.033684342 -0.033686321 0.000001979 +2: 2 10.200 0.000000071 -0.037586671 -0.037588904 0.000002233 +2: 2 10.400 0.000000042 -0.033684342 -0.033686318 0.000001976 2: 2 10.600 0.000000025 -0.030139120 -0.030140869 0.000001749 -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 10.800 0.000000015 -0.026918806 -0.026920326 0.000001520 +2: 2 11.000 0.000000008 -0.023998661 -0.024000004 0.000001343 2: 2 11.200 0.000000005 -0.021355613 -0.021356881 0.000001268 -2: 2 11.400 0.000000003 -0.018968230 -0.018969119 0.000000889 +2: 2 11.400 0.000000003 -0.018968230 -0.018969178 0.000000948 2: 2 11.600 0.000000002 -0.016816386 -0.016817212 0.000000826 -2: avgDiffVxc, maxDiffVxc = 0.000088737 0.000834865 -8/9 Test #2: libgridxc_test2 .................. Passed 20.27 sec +2: avgDiffVxc, maxDiffVxc = 0.000088733 0.000834865 +7/9 Test #2: libgridxc_test2 .................. Passed 6.96 sec +4: +4: funcs= VDW +4: auths= BH +4: dr, dx, Ecut = 0.024000 0.408248 59.217626 +4: rMax, rBuff = 12.000000 3.000000 +4: atomEx, cellEx, diff = -4.299743248 -4.299745396 0.000002148 +4: atomEc, cellEc, diff = -0.679499275 -0.679753307 0.000254032 +4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 +4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 +4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291 +8/9 Test #4: libgridxc_test4 .................. Passed 7.56 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 25.94 sec +9/9 Test #3: libgridxc_test3 .................. Passed 9.92 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 25.95 sec +Total Test time (real) = 9.93 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -9629,7 +9665,7 @@ dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake - cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.2 -B/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -9650,15 +9686,15 @@ make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test2.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-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' @@ -9672,37 +9708,40 @@ make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.2 /build/reproducible-path/libgridxc-2.0.2/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build +make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.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-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. @@ -9711,20 +9750,17 @@ make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' -[ 68%] Built target libgridxc-test2 -[ 72%] Built target libgridxc-test3 -[ 78%] Built target libgridxc-test6 +[ 68%] Built target libgridxc-test1 +[ 76%] Built target libgridxc-test3 +[ 76%] Built target libgridxc-test_libxc [ 80%] Built target libgridxc-test4 -[ 84%] Built target libgridxc-test_libxc2 -[ 88%] Built target libgridxc-test_hse06 -[ 92%] Built target libgridxc-test_libxc +[ 86%] Built target libgridxc-test6 +[ 88%] Built target libgridxc-test2 +[ 92%] Built target libgridxc-test_libxc2 +[ 96%] Built target libgridxc-test_hse06 [100%] Built target libgridxc-test_match -[100%] Built target libgridxc-test1 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.2/obj-x86_64-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall @@ -9741,40 +9777,40 @@ -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/lib/x86_64-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0 --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.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_cell.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.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_io.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.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.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_hybrids.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_mesh3d.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.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_precision.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.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_atom.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.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_fft_gpfa.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.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_io.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_config.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_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_hybrids.mod -- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.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_fft3d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.2/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_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-x86_64-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/68102/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/68102/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/2553569 and its subdirectories -I: Current time: Tue Nov 19 17:29:47 -12 2024 -I: pbuilder-time-stamp: 1732080587 +I: removing directory /srv/workspace/pbuilder/68102 and its subdirectories +I: Current time: Wed Dec 24 01:54:10 +14 2025 +I: pbuilder-time-stamp: 1766490850