Diff of the two buildlogs: -- --- b1/build.log 2024-05-13 12:59:12.896340413 +0000 +++ b2/build.log 2024-05-13 13:01:44.717880795 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Sun Jun 15 07:21:08 -12 2025 -I: pbuilder-time-stamp: 1750015268 +I: Current time: Tue May 14 02:59:15 +14 2024 +I: pbuilder-time-stamp: 1715605155 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -26,54 +26,86 @@ dpkg-source: info: unpacking libgridxc_2.0.1-1.debian.tar.xz I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/67145/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/41647/tmp/hooks/D01_modify_environment starting +debug: Running on ionos2-i386. +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 May 13 12:59 /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/41647/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/41647/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='i386' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=22 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='i386' + 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]="21" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=i686 + HOST_ARCH=i386 IFS=' ' - INVOCATION_ID='70b82759f5d94d4ca79d8db034ffb6c5' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - LD_LIBRARY_PATH='/usr/lib/libeatmydata' - LD_PRELOAD='libeatmydata.so' - 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='67145' - PS1='# ' - PS2='> ' + INVOCATION_ID=e1885a50728343e880c94ae380606577 + LANG=C + LANGUAGE=de_CH:de + LC_ALL=C + LD_LIBRARY_PATH=/usr/lib/libeatmydata + LD_PRELOAD=libeatmydata.so + MACHTYPE=i686-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=41647 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.RT4q4YOw/pbuilderrc_fujj --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.RT4q4YOw/b1 --logfile b1/build.log libgridxc_2.0.1-1.dsc' - SUDO_GID='112' - SUDO_UID='107' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + 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.RT4q4YOw/pbuilderrc_BqhG --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.RT4q4YOw/b2 --logfile b2/build.log libgridxc_2.0.1-1.dsc' + SUDO_GID=112 + SUDO_UID=107 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos16-i386 6.1.0-21-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.90-1 (2024-05-03) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-21-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.90-1 (2024-05-03) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Jun 14 14:06 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/67145/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 12 07:44 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/41647/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -183,7 +215,7 @@ Get: 64 http://deb.debian.org/debian unstable/main i386 pkgconf-bin i386 1.8.1-1+b2 [30.2 kB] Get: 65 http://deb.debian.org/debian unstable/main i386 pkgconf i386 1.8.1-1+b2 [26.2 kB] Get: 66 http://deb.debian.org/debian unstable/main i386 pkg-config i386 1.8.1-1+b2 [14.0 kB] -Fetched 58.3 MB in 1s (44.4 MB/s) +Fetched 58.3 MB in 1s (58.9 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package libproc2-0:i386. (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 ... 19684 files and directories currently installed.) @@ -469,7 +501,11 @@ fakeroot is already the newest version (1.34-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/libgridxc-2.0.1/ && 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_2.0.1-1_source.changes +I: user script /srv/workspace/pbuilder/41647/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/41647/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/libgridxc-2.0.1/ && 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_2.0.1-1_source.changes dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.0.1-1 dpkg-buildpackage: info: source distribution unstable @@ -526,8 +562,8 @@ -- Searching for libXC library - found -- Configuring docs -- Configuring libgridxc tests... --- Configuring done (0.4s) --- Generating done (0.0s) +-- Configuring done (0.8s) +-- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -539,7 +575,7 @@ -- Build files have been written to: /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1' dh_auto_build -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j22 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-i686-linux-gnu && make -j10 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.1 -B/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -555,61 +591,61 @@ make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' [ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -[ 7%] 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 +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o -[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.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-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/m_walltime.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 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-ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o [ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o -[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/ldaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/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 touch CMakeFiles/libgridxc-lib.dir/src/sys.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_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.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/cellsubs.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_sorting.mod CMakeFiles/libgridxc-lib.dir/gridxc_sorting.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/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-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/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 touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_lda.mod CMakeFiles/libgridxc-lib.dir/gridxc_lda.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_minvec.mod CMakeFiles/libgridxc-lib.dir/gridxc_minvec.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/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-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_lda.mod CMakeFiles/libgridxc-lib.dir/gridxc_lda.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_interpolation.mod CMakeFiles/libgridxc-lib.dir/gridxc_interpolation.mod.stamp GNU @@ -620,26 +656,26 @@ /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 /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xwpbe.mod CMakeFiles/libgridxc-lib.dir/gridxc_xwpbe.mod.stamp GNU +/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-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/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-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/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 -[ 37%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o -[ 39%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o +[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o +[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_xwpbe.mod CMakeFiles/libgridxc-lib.dir/gridxc_xwpbe.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_xwpbe.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o.provides.build -[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/xc_hybrids.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o -[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o +[ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/debugxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/debugxc.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_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 -[ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gga.mod CMakeFiles/libgridxc-lib.dir/gridxc_gga.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_mesh3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_mesh3d.mod.stamp GNU @@ -648,10 +684,10 @@ /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_dp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_dp.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_sp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_sp.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build -[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o -[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o +[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_fft3d.mod CMakeFiles/libgridxc-lib.dir/gridxc_fft3d.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o.provides.build @@ -672,10 +708,10 @@ /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/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/atomxc.F90.o -[ 60%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o +[ 58%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/cellxc.F90 -o 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-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.0.1/src/atomxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/atomxc.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 @@ -695,22 +731,22 @@ make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.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-2.0.1/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" @@ -718,112 +754,112 @@ cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". +Scanning dependencies of target libgridxc-test6 Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". -Scanning dependencies of target libgridxc-test2 -Scanning dependencies of target libgridxc-test1 +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -Scanning dependencies of target libgridxc-test3 Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". +Scanning dependencies of target libgridxc-test_match +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build +Scanning dependencies of target libgridxc-test_libxc +Scanning dependencies of target libgridxc-test_libxc2 +Scanning dependencies of target libgridxc-test2 +Scanning dependencies of target libgridxc-test1 Scanning dependencies of target libgridxc-test4 +Scanning dependencies of target libgridxc-test3 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Scanning dependencies of target libgridxc-test_hse06 +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -Scanning dependencies of target libgridxc-test_libxc make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -Scanning dependencies of target libgridxc-test_libxc2 make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -Scanning dependencies of target libgridxc-test_hse06 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -Scanning dependencies of target libgridxc-test_match -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' -Scanning dependencies of target libgridxc-test6 +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-2.0.1/obj-i686-linux-gnu' 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-2.0.1/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o [ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o -[ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o +[ 70%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o +[ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test4.dir/test4.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/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 -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace -c /build/reproducible-path/libgridxc-2.0.1/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o [ 84%] Linking Fortran executable libgridxc-test_match cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so [ 86%] Linking Fortran executable libgridxc-test_hse06 cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_match.dir/test_match.F90.o" -o libgridxc-test_match ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o" -o libgridxc-test_hse06 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so -[ 88%] Linking Fortran executable libgridxc-test_libxc +[ 88%] Linking Fortran executable libgridxc-test_libxc2 +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-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-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o" -o libgridxc-test_libxc ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -[ 90%] Linking Fortran executable libgridxc-test_libxc2 -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 [ 92%] Linking Fortran executable libgridxc-test2 -[ 92%] Built target libgridxc-test_hse06 -[ 92%] Built target libgridxc-test_match cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o" -o libgridxc-test_libxc2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +[ 92%] Built target libgridxc-test_match /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test2.dir/test2.F90.o" -o libgridxc-test2 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so +[ 92%] Built target libgridxc-test_hse06 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -[ 92%] Built target libgridxc-test_libxc make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' [ 94%] Linking Fortran executable libgridxc-test6 cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' [ 94%] Built target libgridxc-test_libxc2 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +[ 94%] Built target libgridxc-test_libxc /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test6.dir/test6.f90.o" -o libgridxc-test6 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so [ 94%] Built target libgridxc-test2 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -[ 94%] Built target libgridxc-test6 [ 96%] Linking Fortran executable libgridxc-test4 cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test4.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.0.1=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -march=native -fbacktrace "CMakeFiles/libgridxc-test4.dir/test4.F90.o" -o libgridxc-test4 ../libgridxc.a /usr/lib/i386-linux-gnu/libxcf03.so /usr/lib/i386-linux-gnu/libxc.so make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +[ 96%] Built target libgridxc-test6 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' [ 96%] Built target libgridxc-test4 [ 98%] Linking Fortran executable libgridxc-test1 cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test1.dir/link.txt --verbose=1 @@ -839,10 +875,10 @@ /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' dh_auto_test -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j22 test ARGS\+=--verbose ARGS\+=-j22 + cd obj-i686-linux-gnu && make -j10 test ARGS\+=--verbose ARGS\+=-j10 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j22 +/usr/bin/ctest --force-new-ctest-process --verbose -j10 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu @@ -971,7 +1007,7 @@ 1: GGA PBE 1 1 Ec -0.000075105 -0.000075105 0.000000000 0 1: GGA PBE 2 1 Ex 0.001889043 0.001889043 0.000000000 0 1: GGA PBE 2 1 Ec -0.000017137 -0.000017137 0.000000000 0 -1: GGA PBE 3 1 Ex 0.003603822 0.003603821 0.000000000 0 +1: GGA PBE 3 1 Ex 0.003603822 0.003603822 0.000000000 0 1: GGA PBE 3 1 Ec -0.000031245 -0.000031245 0.000000000 0 1: GGA PBE 0 2 Ex -0.441889438 -0.405884327 0.036005111 2 1: GGA PBE 0 2 Ec -0.001121107 -0.001121107 0.000000000 0 @@ -990,7 +1026,7 @@ 1: GGA PBE 3 3 Ex -0.001668864 -0.001668864 0.000000000 0 1: GGA PBE 3 3 Ec -0.000000000 0.000000000 0.000000000 0 1: GGA PBE 0 4 Ex 0.000082240 0.089256998 0.089174758 2 -1: GGA PBE 0 4 Ec 0.000003410 0.000003410 0.000000000 0 +1: GGA PBE 0 4 Ec 0.000003410 0.000003409 0.000000000 0 1: GGA PBE 1 4 Ex -0.000011834 -0.000011834 0.000000000 0 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0.000000003 7: dr, rMax = 0.200000 20.000000 7: iSpin r dens Vxc dExc/dDens diff 7: 1 0.000 0.047620227 -0.980238765 -7: 1 0.200 0.047382720 -0.982776277 -0.982776021 -0.000000256 -7: 1 0.400 0.046677283 -0.990388812 -0.990388778 -0.000000035 -7: 1 0.600 0.045524817 -0.975266071 -0.975266037 -0.000000034 -7: 1 0.800 0.043959010 -0.975102121 -0.975102142 0.000000021 -7: 1 1.000 0.042024703 -0.956001234 -0.956001248 0.000000014 -7: 1 1.200 0.039775757 -0.943081485 -0.943081491 0.000000006 -8: Ex, Ec: -4.3915197423832755 -0.63516421031255010 +7: 1 0.200 0.047382720 -0.982776277 -0.982776165 -0.000000112 +7: 1 0.400 0.046677283 -0.990388812 -0.990388751 -0.000000061 +7: 1 0.600 0.045524817 -0.975266071 -0.975266099 0.000000028 +7: 1 0.800 0.043959010 -0.975102121 -0.975102097 -0.000000024 +7: 1 1.000 0.042024703 -0.956001234 -0.956001222 -0.000000012 +7: 1 1.200 0.039775757 -0.943081485 -0.943081483 -0.000000002 +7: 1 1.400 0.037272568 -0.921422546 -0.921422549 0.000000003 +7: 1 1.600 0.034579382 -0.899005838 -0.899005838 -0.000000001 +7: 1 1.800 0.031761587 -0.874045663 -0.874045663 -0.000000001 +7: 1 2.000 0.028883127 -0.847548881 -0.847548880 -0.000000001 +7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 +7: 1 2.400 0.023179251 -0.789580695 -0.789580699 0.000000004 +7: 1 2.600 0.020455616 -0.758088403 -0.758088406 0.000000003 +7: 1 2.800 0.017872394 -0.725194479 -0.725194477 -0.000000003 +7: 1 3.000 0.015460016 -0.691188323 -0.691188328 0.000000005 +7: 1 3.200 0.013240188 -0.656330566 -0.656330565 -0.000000001 +7: 1 3.400 0.011226266 -0.620864165 -0.620864163 -0.000000002 +7: 1 3.600 0.009423960 -0.585034090 -0.585034091 0.000000001 +7: 1 3.800 0.007832284 -0.549094197 -0.549094198 0.000000001 +8: Ex, Ec: -4.3915197423832826 -0.63516421031255144 8: -1.00270 -1.00104 -0.99606 -0.98881 -0.97797 -0.96486 8: -0.94869 -0.93017 -0.90922 -0.88613 -0.86109 -0.83433 8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051 @@ -1787,7 +1857,7 @@ 8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 8: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 8: -0.00036 -0.00036 -0.00036 -0.00036 -8: Ex, Ec: -4.3915185633273692 -0.63516344579004436 +8: Ex, Ec: -4.3915185633273772 -0.63516344579004580 8: -1.00270 -1.00104 -0.99606 -0.98881 -0.97797 -0.96486 8: -0.94869 -0.93017 -0.90922 -0.88613 -0.86109 -0.83433 8: -0.80607 -0.77656 -0.74603 -0.71470 -0.68279 -0.65051 @@ -1822,55 +1892,56 @@ 8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 8: 0.00000 0.00000 0.00000 0.00000 +1/9 Test #8: libgridxc_test_match ............. Passed 0.03 sec 1: GGA LYP 0 4 Ex -0.026503515 -0.466631148 0.440127634 2 1: GGA LYP 0 4 Ec -0.009270819 -0.073001911 0.063731093 2 1: GGA WC 0 1 Ex -0.674196998 -0.794408642 0.120211644 2 -1: GGA WC 0 2 Ex -0.686623610 -0.566411948 0.120211663 2 -1: GGA WC 0 3 Ex 0.002961752 -0.152982163 0.155943916 2 -1: GGA WC 0 4 Ex -0.005747359 -0.216066489 0.210319130 2 -1: GGA PBEJsJrLO 0 1 Ex -0.664429971 -0.763916426 0.099486456 2 +1: GGA WC 0 2 Ex -0.686623610 -0.566411948 0.120211662 2 +1: GGA WC 0 3 Ex 0.002961752 -0.152982162 0.155943915 2 +1: GGA WC 0 4 Ex -0.005747359 -0.216066490 0.210319131 2 +1: GGA PBEJsJrLO 0 1 Ex -0.664429971 -0.763916427 0.099486456 2 1: GGA PBEJsJrLO 0 2 Ex -0.699505962 -0.600019488 0.099486474 2 -1: GGA PBEJsJrLO 0 3 Ex 0.008359994 -0.149947223 0.158307217 2 -1: GGA PBEJsJrLO 0 4 Ex -0.016222789 -0.205354372 0.189131584 2 +1: GGA PBEJsJrLO 0 3 Ex 0.008359994 -0.149947225 0.158307219 2 +1: GGA PBEJsJrLO 0 4 Ex -0.016222789 -0.205354373 0.189131584 2 1: GGA PBEJsJrHEG 0 1 Ex -0.671362457 -0.734638661 0.063276204 2 -1: GGA PBEJsJrHEG 0 2 Ex -0.723579701 -0.660303480 0.063276221 2 -1: GGA PBEJsJrHEG 0 3 Ex 0.012445432 -0.076332067 0.088777498 2 -1: GGA PBEJsJrHEG 0 4 Ex -0.024150687 -0.138306049 0.114155362 2 +1: GGA PBEJsJrHEG 0 2 Ex -0.723579701 -0.660303481 0.063276220 2 +1: GGA PBEJsJrHEG 0 3 Ex 0.012445432 -0.076332066 0.088777497 2 +1: GGA PBEJsJrHEG 0 4 Ex -0.024150687 -0.138306050 0.114155362 2 1: GGA PBEGcGxLO 0 1 Ex -0.631575794 -0.732056296 0.100480502 2 -1: GGA PBEGcGxLO 0 2 Ex -0.665949149 -0.565468629 0.100480519 2 -1: GGA PBEGcGxLO 0 3 Ex 0.008192528 -0.164300455 0.172492983 2 -1: GGA PBEGcGxLO 0 4 Ex -0.015897816 -0.213414300 0.197516484 2 +1: GGA PBEGcGxLO 0 2 Ex -0.665949149 -0.565468630 0.100480519 2 +1: GGA PBEGcGxLO 0 3 Ex 0.008192528 -0.164300454 0.172492982 2 +1: GGA PBEGcGxLO 0 4 Ex -0.015897816 -0.213414299 0.197516483 2 1: GGA PBEGcGxHEG 0 1 Ex -0.648335529 -0.714887912 0.066552382 2 -1: GGA PBEGcGxHEG 0 2 Ex -0.697530593 -0.630978194 0.066552399 2 -1: GGA PBEGcGxHEG 0 3 Ex 0.011725127 -0.087988161 0.099713288 2 +1: GGA PBEGcGxHEG 0 2 Ex -0.697530593 -0.630978195 0.066552399 2 +1: GGA PBEGcGxHEG 0 3 Ex 0.011725127 -0.087988162 0.099713289 2 1: GGA PBEGcGxHEG 0 4 Ex -0.022752917 -0.146085538 0.123332621 2 1: GGA PBESOL 0 1 Ex -0.631575794 -0.732056296 0.100480502 2 -1: GGA PBESOL 0 2 Ex -0.665949149 -0.565468629 0.100480519 2 -1: GGA PBESOL 0 3 Ex 0.008192528 -0.164300455 0.172492983 2 -1: GGA PBESOL 0 4 Ex -0.015897816 -0.213414300 0.197516484 2 +1: GGA PBESOL 0 2 Ex -0.665949149 -0.565468630 0.100480519 2 +1: GGA PBESOL 0 3 Ex 0.008192528 -0.164300454 0.172492982 2 +1: GGA PBESOL 0 4 Ex -0.015897816 -0.213414299 0.197516483 2 1: GGA AM05 0 1 Ex -0.449595553 -0.556585398 0.106989845 2 1: GGA AM05 0 1 Ec -0.062600843 -0.062104457 0.000496387 2 1: GGA AM05 0 2 Ex -0.508642275 -0.401652430 0.106989845 2 1: GGA AM05 0 2 Ec -0.050538962 -0.051035349 0.000496387 2 -1: GGA AM05 0 3 Ex 0.014073166 -0.320089312 0.334162478 2 +1: GGA AM05 0 3 Ex 0.014073166 -0.320089313 0.334162479 2 1: GGA AM05 0 3 Ec -0.002874823 -0.002202170 0.000672653 2 1: GGA AM05 0 4 Ex -0.027309349 -0.315175013 0.287865664 2 1: GGA AM05 0 4 Ec 0.005578669 0.006461933 0.000883264 2 1: GGA PW86 0 1 Ex -0.658647390 -0.758228591 0.099581201 2 1: GGA PW86 0 2 Ex -0.722114275 -0.622533055 0.099581220 2 -1: GGA PW86 0 3 Ex 0.015126665 -0.226427595 0.241554260 2 +1: GGA PW86 0 3 Ex 0.015126665 -0.226427596 0.241554261 2 1: GGA PW86 0 4 Ex -0.029353692 -0.261486916 0.232133224 2 1: GGA B88 0 1 Ex -0.507806924 -0.675946983 0.168140059 2 1: GGA B88 0 2 Ex -0.565067771 -0.396927690 0.168140081 2 -1: GGA B88 0 3 Ex 0.013647522 -0.487589802 0.501237323 2 +1: GGA B88 0 3 Ex 0.013647522 -0.487589803 0.501237324 2 1: GGA B88 0 4 Ex -0.026483375 -0.466554584 0.440071209 2 -1: GGA C09 0 1 Ex -0.462041569 -0.644090423 0.182048853 2 +1: GGA C09 0 1 Ex -0.462041569 -0.644090423 0.182048854 2 1: GGA C09 0 2 Ex -0.476735617 -0.294686743 0.182048874 2 -1: GGA C09 0 3 Ex 0.003502172 -0.441622922 0.445125094 2 +1: GGA C09 0 3 Ex 0.003502172 -0.441622921 0.445125093 2 1: GGA C09 0 4 Ex -0.006796057 -0.432987675 0.426191618 2 1: GGA BH 0 1 Ex -0.658980784 -0.796352336 0.137371552 2 1: GGA BH 0 2 Ex -0.678069463 -0.540697891 0.137371572 2 -1: GGA BH 0 3 Ex 0.004549586 -0.227823537 0.232373123 2 +1: GGA BH 0 3 Ex 0.004549586 -0.227823536 0.232373122 2 1: GGA BH 0 4 Ex -0.008828592 -0.277084630 0.268256038 2 1: 1: iSpin dens gradDens @@ -1879,26 +1950,26 @@ 1: 3 -0.000843839 -0.084344545 0.213187273 -0.370024806 1: 4 -0.001058677 -0.087141404 -0.169608695 -0.144977357 1: GGA PW91 0 1 Ex -0.388875129 -0.261054218 0.127820910 2 -1: GGA PW91 0 2 Ex -0.545203162 -0.673024062 0.127820900 2 -1: GGA PW91 0 3 Ex 0.009125698 -0.659938145 0.669063843 2 -1: GGA PW91 0 4 Ex 0.011449069 -0.327908387 0.339357457 2 +1: GGA PW91 0 2 Ex -0.545203162 -0.673024062 0.127820899 2 +1: GGA PW91 0 3 Ex 0.009125698 -0.659938147 0.669063845 2 +1: GGA PW91 0 4 Ex 0.011449069 -0.327908391 0.339357460 2 1: GGA PBE 0 1 Ex -0.387488712 -0.265747973 0.121740739 2 -1: GGA PBE 0 2 Ex -0.552672277 -0.674413005 0.121740728 2 -1: GGA PBE 0 3 Ex 0.009642642 -0.644716518 0.654359160 2 +1: GGA PBE 0 2 Ex -0.552672277 -0.674413005 0.121740729 2 +1: GGA PBE 0 3 Ex 0.009642642 -0.644716516 0.654359158 2 1: GGA PBE 0 4 Ex 0.012097626 -0.297470497 0.309568123 2 1: GGA RPBE 0 1 Ex -0.354261439 -0.196947525 0.157313914 2 1: GGA RPBE 0 2 Ex -0.588479005 -0.745792907 0.157313902 2 -1: GGA RPBE 0 3 Ex 0.013672523 -0.851042926 0.864715450 2 +1: GGA RPBE 0 3 Ex 0.013672523 -0.851042924 0.864715448 2 1: GGA RPBE 0 4 Ex 0.017153501 -0.367608054 0.384761555 2 1: GGA revPBE 0 1 Ex -0.360293484 -0.178773127 0.181520357 2 1: GGA revPBE 0 2 Ex -0.510195034 -0.691715380 0.181520346 2 -1: GGA revPBE 0 3 Ex 0.008750550 -0.902428811 0.911179361 2 +1: GGA revPBE 0 3 Ex 0.008750550 -0.902428806 0.911179356 2 1: GGA revPBE 0 4 Ex 0.010978410 -0.502008177 0.512986587 2 -1: GGA LYP 0 1 Ex -0.377941498 -0.181528868 0.196412631 2 +1: GGA LYP 0 1 Ex -0.377941498 -0.181528867 0.196412631 2 1: GGA LYP 0 1 Ec 0.015375944 0.023612359 0.008236414 2 1: GGA LYP 0 2 Ex -0.421241060 -0.617653691 0.196412631 2 1: GGA LYP 0 2 Ec -0.151096935 -0.159333349 0.008236414 2 -1: GGA LYP 0 3 Ex 0.002527625 -0.893125560 0.895653186 2 +1: GGA LYP 0 3 Ex 0.002527625 -0.893125558 0.895653184 2 1: GGA LYP 0 3 Ec 0.009717906 0.028658088 0.018940182 2 1: GGA LYP 0 4 Ex 0.003171150 -0.623861477 0.627032627 2 1: GGA LYP 0 4 Ec 0.012192052 -0.059135458 0.071327510 2 @@ -1909,87 +1980,46 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.383287927 -0.264927425 0.118360502 2 1: GGA PBEJsJrLO 0 2 Ex -0.504023323 -0.622383815 0.118360492 2 1: GGA PBEJsJrLO 0 3 Ex 0.007047966 -0.593161564 0.600209531 2 -1: GGA PBEJsJrLO 0 4 Ex 0.008842355 -0.320809493 0.329651848 2 +1: GGA PBEJsJrLO 0 4 Ex 0.008842355 -0.320809495 0.329651849 2 1: GGA PBEJsJrHEG 0 1 Ex -0.399421073 -0.315833039 0.083588034 2 -1: GGA PBEJsJrHEG 0 2 Ex -0.527494013 -0.611082038 0.083588024 2 -1: GGA PBEJsJrHEG 0 3 Ex 0.007476298 -0.442096774 0.449573071 2 -1: GGA PBEJsJrHEG 0 4 Ex 0.009379738 -0.202944383 0.212324121 2 +1: GGA PBEJsJrHEG 0 2 Ex -0.527494013 -0.611082037 0.083588024 2 +1: GGA PBEJsJrHEG 0 3 Ex 0.007476298 -0.442096772 0.449573069 2 +1: GGA PBEJsJrHEG 0 4 Ex 0.009379738 -0.202944387 0.212324125 2 1: GGA PBEGcGxLO 0 1 Ex -0.384024583 -0.269710372 0.114314211 2 1: GGA PBEGcGxLO 0 2 Ex -0.481214942 -0.595529143 0.114314201 2 1: GGA PBEGcGxLO 0 3 Ex 0.005673518 -0.556118073 0.561791590 2 -1: GGA PBEGcGxLO 0 4 Ex 0.007117976 -0.325531144 0.332649120 2 -1: GGA PBEGcGxHEG 0 1 Ex -0.397092116 -0.314295364 0.082796753 2 +1: GGA PBEGcGxLO 0 4 Ex 0.007117976 -0.325531146 0.332649121 2 +1: GGA PBEGcGxHEG 0 1 Ex -0.397092116 -0.314295363 0.082796753 2 1: GGA PBEGcGxHEG 0 2 Ex -0.508571283 -0.591368026 0.082796743 2 1: GGA PBEGcGxHEG 0 3 Ex 0.006507631 -0.424875217 0.431382848 2 1: GGA PBEGcGxHEG 0 4 Ex 0.008164452 -0.213256363 0.221420815 2 1: GGA PBESOL 0 1 Ex -0.384024583 -0.269710372 0.114314211 2 1: GGA PBESOL 0 2 Ex -0.481214942 -0.595529143 0.114314201 2 1: GGA PBESOL 0 3 Ex 0.005673518 -0.556118073 0.561791590 2 -1: GGA PBESOL 0 4 Ex 0.007117976 -0.325531144 0.332649120 2 +1: GGA PBESOL 0 4 Ex 0.007117976 -0.325531146 0.332649121 2 1: GGA AM05 0 1 Ex -0.376979692 -0.260500490 0.116479201 2 1: GGA AM05 0 1 Ec -0.059127913 -0.061081024 0.001953111 2 1: GGA AM05 0 2 Ex -0.383111316 -0.499590517 0.116479201 2 1: GGA AM05 0 2 Ec -0.046298162 -0.044345051 0.001953111 2 -1: GGA AM05 0 3 Ex 0.000357935 -0.498326147 0.498684082 2 +1: GGA AM05 0 3 Ex 0.000357935 -0.498326143 0.498684079 2 1: GGA AM05 0 3 Ec -0.000748941 0.012404347 0.013153288 2 -1: GGA AM05 0 4 Ex 0.000449065 -0.397281265 0.397730330 2 +1: GGA AM05 0 4 Ex 0.000449065 -0.397281263 0.397730328 2 1: GGA AM05 0 4 Ec -0.000939618 0.001910399 0.002850017 2 1: GGA PW86 0 1 Ex -0.409231883 -0.278247259 0.130984623 2 1: GGA PW86 0 2 Ex -0.531994060 -0.662978672 0.130984612 2 -1: GGA PW86 0 3 Ex 0.007166280 -0.657770449 0.664936730 2 -1: GGA PW86 0 4 Ex 0.008990791 -0.355255269 0.364246060 2 +1: GGA PW86 0 3 Ex 0.007166280 -0.657770447 0.664936728 2 +1: GGA PW86 0 4 Ex 0.008990791 -0.355255272 0.364246063 2 1: GGA B88 0 1 Ex -0.377900631 -0.181501475 0.196399156 2 1: GGA B88 0 2 Ex -0.421179584 -0.617578728 0.196399144 2 -1: GGA B88 0 3 Ex 0.002526422 -0.893069770 0.895596193 2 -1: GGA B88 0 4 Ex 0.003169641 -0.623816937 0.626986578 2 +1: GGA B88 0 3 Ex 0.002526422 -0.893069766 0.895596189 2 +1: GGA B88 0 4 Ex 0.003169641 -0.623816941 0.626986582 2 1: GGA C09 0 1 Ex -0.368475701 -0.188752306 0.179723395 2 -1: GGA C09 0 2 Ex -0.348837408 -0.528560792 0.179723385 2 -1: GGA C09 0 3 Ex -0.001146392 -0.765288275 0.764141883 2 +1: GGA C09 0 2 Ex -0.348837408 -0.528560792 0.179723384 2 +1: GGA C09 0 3 Ex -0.001146392 -0.765288271 0.764141879 2 1: GGA C09 0 4 Ex -0.001438259 -0.619355742 0.617917483 2 1: GGA BH 0 1 Ex -0.354761472 -0.200498514 0.154262958 2 1: GGA BH 0 2 Ex -0.469790619 -0.624053566 0.154262947 2 -6: 1 3.000 0.015460016 -0.714697437 -0.714697436 -0.000000001 -6: 1 3.200 0.013240188 -0.682792452 -0.682792454 0.000000002 -7: 1 1.400 0.037272568 -0.921422546 -0.921422542 -0.000000004 -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 ............. 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0.043279039 -0.062172514 0.105451553 2 1: GGA AM05 0 4 Ec -0.010666512 -0.009333963 0.001332549 2 1: GGA PW86 0 1 Ex -0.845514408 -0.834970521 0.010543887 2 -1: GGA PW86 0 2 Ex -0.787945884 -0.798489771 0.010543887 2 +1: GGA PW86 0 2 Ex -0.787945884 -0.798489770 0.010543886 2 1: GGA PW86 0 3 Ex 0.031888569 0.092291738 0.060403169 2 -1: GGA PW86 0 4 Ex 0.012943036 -0.112427324 0.125370360 2 +1: GGA PW86 0 4 Ex 0.012943036 -0.112427325 0.125370361 2 1: GGA B88 0 1 Ex -0.783633438 -0.769223615 0.014409823 2 -1: GGA B88 0 2 Ex -0.667757041 -0.682166862 0.014409821 2 +1: GGA B88 0 2 Ex -0.667757041 -0.682166861 0.014409821 2 1: GGA B88 0 3 Ex 0.064186681 0.154736686 0.090550005 2 1: GGA B88 0 4 Ex 0.026052299 -0.164995176 0.191047475 2 -6: 1 5.800 0.000710460 -0.248426892 -0.248426892 -0.000000000 -1: GGA C09 0 1 Ex -0.841332841 -0.834378491 0.006954351 2 -1: GGA C09 0 2 Ex -0.957977822 -0.964932172 0.006954351 2 +1: GGA C09 0 1 Ex -0.841332841 -0.834378491 0.006954350 2 +1: GGA C09 0 2 Ex 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-0.141999267 0.057581783 2 1: GGA RPBE 0 1 Ex -0.604261697 -0.702161719 0.097900022 2 1: GGA RPBE 0 2 Ex -0.658774971 -0.560874914 0.097900057 2 1: GGA RPBE 0 3 Ex -0.021268937 0.063871571 0.085140508 2 1: GGA RPBE 0 4 Ex -0.052998153 -0.137515705 0.084517552 2 -1: GGA revPBE 0 1 Ex -0.695936158 -0.792265285 0.096329127 2 +1: GGA revPBE 0 1 Ex -0.695936158 -0.792265286 0.096329127 2 1: GGA revPBE 0 2 Ex -0.690862326 -0.594533165 0.096329162 2 1: GGA revPBE 0 3 Ex 0.001979610 0.085373635 0.083394025 2 1: GGA revPBE 0 4 Ex 0.004932812 -0.078075949 0.083008760 2 -1: GGA LYP 0 1 Ex -0.611305494 -0.740243759 0.128938265 2 +1: GGA LYP 0 1 Ex -0.611305494 -0.740243758 0.128938265 2 1: GGA LYP 0 1 Ec -0.404519962 -0.543493572 0.138973610 2 -1: GGA LYP 0 2 Ex -0.657800833 -0.528862569 0.128938265 2 +1: GGA LYP 0 2 Ex -0.657800833 -0.528862568 0.128938265 2 1: GGA LYP 0 2 Ec -0.172763747 -0.033790137 0.138973610 2 1: GGA LYP 0 3 Ex -0.018140654 -0.034051661 0.015911007 2 1: GGA LYP 0 3 Ec 0.090422166 0.304960954 0.214538788 2 -1: GGA LYP 0 4 Ex -0.045203066 -0.105129934 0.059926867 2 +1: GGA LYP 0 4 Ex -0.045203066 -0.105129933 0.059926867 2 1: GGA LYP 0 4 Ec 0.225314873 0.067744002 0.157570871 2 -1: GGA WC 0 1 Ex -0.603434592 -0.671343347 0.067908754 2 -6: 1 6.200 0.000389881 -0.207630641 -0.207630643 0.000000002 +1: GGA WC 0 1 Ex -0.603434592 -0.671343346 0.067908754 2 1: GGA WC 0 2 Ex -0.664515247 -0.596606461 0.067908785 2 1: GGA WC 0 3 Ex -0.023831271 0.034982031 0.058813302 2 1: GGA WC 0 4 Ex -0.059383003 -0.117910727 0.058527724 2 -7: 1 3.200 0.013240188 -0.656330566 -0.656330565 -0.000000001 -1: GGA PBEJsJrLO 0 1 Ex -0.609783107 -0.673020089 0.063236983 2 +1: GGA PBEJsJrLO 0 1 Ex -0.609783107 -0.673020090 0.063236983 2 1: GGA PBEJsJrLO 0 2 Ex -0.679854633 -0.616617619 0.063237014 2 1: GGA PBEJsJrLO 0 3 Ex -0.027339155 0.027425762 0.054764917 2 1: GGA PBEJsJrLO 0 4 Ex -0.068123985 -0.122624369 0.054500384 2 @@ -2292,7 +2298,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex -0.047985392 -0.008216114 0.039769278 2 1: GGA PBEJsJrHEG 0 4 Ex -0.119570488 -0.159113221 0.039542733 2 1: GGA PBEGcGxLO 0 1 Ex -0.605405491 -0.665104568 0.059699077 2 -6: 1 6.400 0.000284517 -0.194187231 -0.194187233 0.000000002 1: GGA PBEGcGxLO 0 2 Ex -0.670457583 -0.610758475 0.059699107 2 1: GGA PBEGcGxLO 0 3 Ex -0.025380769 0.026256151 0.051636920 2 1: GGA PBEGcGxLO 0 4 Ex -0.063244059 -0.114669607 0.051425548 2 @@ -2306,10 +2311,8 @@ 1: GGA PBESOL 0 4 Ex -0.063244059 -0.114669607 0.051425548 2 1: GGA AM05 0 1 Ex -0.532952749 -0.610444210 0.077491461 2 1: GGA AM05 0 1 Ec -0.103322251 -0.102927903 0.000394347 2 -7: 1 3.400 0.011226266 -0.620864165 -0.620864162 -0.000000003 1: GGA AM05 0 2 Ex -0.609191692 -0.531700231 0.077491461 2 1: GGA AM05 0 2 Ec -0.061824918 -0.062219265 0.000394347 2 -6: 1 6.600 0.000205559 -0.183339501 -0.183339503 0.000000001 1: GGA AM05 0 3 Ex -0.029745439 -0.044520706 0.014775267 2 1: GGA AM05 0 3 Ec 0.016190628 0.015848324 0.000342305 2 1: GGA AM05 0 4 Ex -0.074119987 -0.108043856 0.033923869 2 @@ -2328,7 +2331,6 @@ 1: GGA C09 0 4 Ex 0.035492941 -0.032412132 0.067905073 2 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 -6: 1 6.800 0.000147033 -0.173510692 -0.173510693 0.000000002 1: GGA BH 0 3 Ex 0.021010093 0.088872585 0.067862492 2 1: GGA BH 0 4 Ex 0.052353163 -0.032920267 0.085273430 2 1: @@ -2337,47 +2339,43 @@ 1: 2 0.027207346 0.041356974 0.048934977 -0.051651237 1: 3 -0.014279048 -0.184287664 0.056846076 0.057698292 1: 4 0.010158580 0.043352789 -0.160691567 -0.112515261 -1: GGA PW91 0 1 Ex -0.150869746 -0.198919836 0.048050090 2 -1: GGA PW91 0 2 Ex -0.353640786 -0.305590700 0.048050085 2 +1: GGA PW91 0 1 Ex -0.150869746 -0.198919837 0.048050090 2 +1: GGA PW91 0 2 Ex -0.353640786 -0.305590701 0.048050085 2 1: GGA PW91 0 3 Ex 0.188202919 0.207301600 0.019098681 2 1: GGA PW91 0 4 Ex -0.133893687 -0.143432256 0.009538569 2 1: GGA PBE 0 1 Ex -0.264156111 -0.309026617 0.044870506 2 1: GGA PBE 0 2 Ex -0.401821508 -0.356951006 0.044870502 2 1: GGA PBE 0 3 Ex 0.127774803 0.145609670 0.017834867 2 -7: 1 3.600 0.009423960 -0.585034090 -0.585034094 0.000000004 1: GGA PBE 0 4 Ex -0.090903157 -0.099810551 0.008907394 2 -1: GGA RPBE 0 1 Ex -0.277886236 -0.329504450 0.051618213 2 -1: GGA RPBE 0 2 Ex -0.434005865 -0.382387657 0.051618208 2 +1: GGA RPBE 0 1 Ex -0.277886236 -0.329504450 0.051618214 2 +1: GGA RPBE 0 2 Ex -0.434005865 -0.382387657 0.051618209 2 1: GGA RPBE 0 3 Ex 0.144903187 0.165420094 0.020516907 2 -6: 1 7.000 0.000104122 -0.163573430 -0.163573432 0.000000002 1: GGA RPBE 0 4 Ex -0.103088848 -0.113335751 0.010246904 2 1: GGA revPBE 0 1 Ex -0.281578849 -0.359719952 0.078141103 2 1: GGA revPBE 0 2 Ex -0.389520430 -0.311379333 0.078141097 2 1: GGA revPBE 0 3 Ex 0.100186499 0.131245571 0.031059072 2 1: GGA revPBE 0 4 Ex -0.071275939 -0.086787996 0.015512057 2 1: GGA LYP 0 1 Ex -1.306499143 -1.420595160 0.114096017 2 -1: GGA LYP 0 1 Ec -0.901594362 -1.245351146 0.343756784 2 +1: GGA LYP 0 1 Ec -0.901594362 -1.245351145 0.343756784 2 1: GGA LYP 0 2 Ex -0.773404752 -0.659308735 0.114096017 2 1: GGA LYP 0 2 Ec -0.602245670 -0.258488886 0.343756784 2 1: GGA LYP 0 3 Ex -0.494794132 -0.468997738 0.025796393 2 1: GGA LYP 0 3 Ec -0.277841933 -0.062025325 0.215816608 2 -1: GGA LYP 0 4 Ex 0.352012663 0.301877907 0.050134756 2 +1: GGA LYP 0 4 Ex 0.352012663 0.301877907 0.050134757 2 1: GGA LYP 0 4 Ec 0.197665802 0.240725004 0.043059202 2 1: GGA WC 0 1 Ex -0.246894048 -0.304173231 0.057279183 2 -1: GGA WC 0 2 Ex -0.361357729 -0.304078550 0.057279178 2 +1: GGA WC 0 2 Ex -0.361357729 -0.304078550 0.057279179 2 1: GGA WC 0 3 Ex 0.106240018 0.129007014 0.022766997 2 1: GGA WC 0 4 Ex -0.075582609 -0.086953294 0.011370685 2 1: GGA PBEJsJrLO 0 1 Ex -0.250700668 -0.300568294 0.049867626 2 1: GGA PBEJsJrLO 0 2 Ex -0.370280675 -0.320413054 0.049867621 2 -6: 1 7.200 0.000072999 -0.152957536 -0.152957538 0.000000003 1: GGA PBEJsJrLO 0 3 Ex 0.110988760 0.130809854 0.019821093 2 1: GGA PBEJsJrLO 0 4 Ex -0.078961019 -0.088860410 0.009899390 2 -1: GGA PBEJsJrHEG 0 1 Ex -0.240479693 -0.271239648 0.030759955 2 +1: GGA PBEJsJrHEG 0 1 Ex -0.240479693 -0.271239647 0.030759955 2 1: GGA PBEJsJrHEG 0 2 Ex -0.376688399 -0.345928448 0.030759951 2 1: GGA PBEJsJrHEG 0 3 Ex 0.126422768 0.138649055 0.012226287 2 1: GGA PBEJsJrHEG 0 4 Ex -0.089941275 -0.096047535 0.006106260 2 -7: 1 3.800 0.007832284 -0.549094197 -0.549094194 -0.000000003 -1: GGA PBEGcGxLO 0 1 Ex -0.244204747 -0.295594030 0.051389283 2 +1: GGA PBEGcGxLO 0 1 Ex -0.244204747 -0.295594030 0.051389282 2 1: GGA PBEGcGxLO 0 2 Ex -0.355053692 -0.303664414 0.051389278 2 1: GGA PBEGcGxLO 0 3 Ex 0.102884984 0.123310897 0.020425913 2 1: GGA PBEGcGxLO 0 4 Ex -0.073195729 -0.083397189 0.010201460 2 @@ -2385,9 +2383,8 @@ 1: GGA PBEGcGxHEG 0 2 Ex -0.364517345 -0.331656984 0.032860361 2 1: GGA PBEGcGxHEG 0 3 Ex 0.119945324 0.133006470 0.013061146 2 1: GGA PBEGcGxHEG 0 4 Ex -0.085333011 -0.091856230 0.006523220 2 -1: GGA PBESOL 0 1 Ex -0.244204747 -0.295594030 0.051389283 2 +1: GGA PBESOL 0 1 Ex -0.244204747 -0.295594030 0.051389282 2 1: GGA PBESOL 0 2 Ex -0.355053692 -0.303664414 0.051389278 2 -6: 1 7.400 0.000050669 -0.141563831 -0.141563835 0.000000004 1: GGA PBESOL 0 3 Ex 0.102884984 0.123310897 0.020425913 2 1: GGA PBESOL 0 4 Ex -0.073195729 -0.083397189 0.010201460 2 1: GGA AM05 0 1 Ex -1.061723584 -1.134546860 0.072823275 2 @@ -2396,20 +2393,77 @@ 1: GGA AM05 0 2 Ec -0.055503678 -0.055672160 0.000168481 2 1: GGA AM05 0 3 Ex -0.383786682 -0.365331801 0.018454881 2 1: GGA AM05 0 3 Ec -0.039290734 -0.039357701 0.000066967 2 +6: 1 7.200 0.000072999 -0.152957536 -0.152957539 0.000000003 +6: 1 7.400 0.000050669 -0.141563831 -0.141563836 0.000000004 +6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 +6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 +6: 1 8.000 0.000015954 -0.105308033 -0.105308041 0.000000008 +6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 +6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000012 +6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013 +6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 +6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 +6: 1 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 +7: 1 4.000 0.006444664 -0.513309680 -0.513309681 0.000000001 +7: 1 4.200 0.005250115 -0.477958213 -0.477958214 0.000000000 +7: 1 4.400 0.004234421 -0.443329016 -0.443329012 -0.000000004 +7: 1 4.600 0.003381238 -0.409718658 -0.409718659 0.000000001 +7: 1 4.800 0.002673091 -0.377422521 -0.377422523 0.000000002 +7: 1 5.000 0.002092223 -0.346721404 -0.346721402 -0.000000001 +7: 1 5.200 0.001621280 -0.317864014 -0.317864012 -0.000000002 +7: 1 5.400 0.001243837 -0.291048148 -0.291048146 -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 +2/9 Test #9: libgridxc_test_hse06 ............. Passed 0.04 sec 1: GGA AM05 0 4 Ex 0.273038348 0.243836349 0.029201998 2 1: GGA AM05 0 4 Ec 0.027952708 0.027986154 0.000033446 2 1: GGA PW86 0 1 Ex -0.733480219 -0.790787724 0.057307505 2 -1: GGA PW86 0 2 Ex -0.587765007 -0.530457506 0.057307502 2 +1: GGA PW86 0 2 Ex -0.587765007 -0.530457505 0.057307502 2 1: GGA PW86 0 3 Ex -0.135246277 -0.113229274 0.022017003 2 -1: GGA PW86 0 4 Ex 0.096218607 0.083772277 0.012446331 2 -1: GGA B88 0 1 Ex -1.306466985 -1.420556767 0.114089782 2 +1: GGA PW86 0 4 Ex 0.096218607 0.083772276 0.012446331 2 +1: GGA B88 0 1 Ex -1.306466985 -1.420556768 0.114089783 2 1: GGA B88 0 2 Ex -0.773366062 -0.659276264 0.114089798 2 -6: 1 7.600 0.000034818 -0.129595146 -0.129595152 0.000000006 1: GGA B88 0 3 Ex -0.494800194 -0.469006232 0.025793961 2 -1: GGA B88 0 4 Ex 0.352016976 0.301883546 0.050133431 2 -1: GGA C09 0 1 Ex -0.234542378 -0.338446221 0.103903843 2 +1: GGA B88 0 4 Ex 0.352016976 0.301883545 0.050133431 2 +1: GGA C09 0 1 Ex -0.234542378 -0.338446221 0.103903842 2 1: GGA C09 0 2 Ex -0.279259849 -0.175356011 0.103903838 2 -7: 1 4.000 0.006444664 -0.513309680 -0.513309677 -0.000000003 1: GGA C09 0 3 Ex 0.041504736 0.082803836 0.041299099 2 1: GGA C09 0 4 Ex -0.029527821 -0.050154129 0.020626307 2 1: GGA BH 0 1 Ex -0.713872226 -0.784800051 0.070927825 2 @@ -2424,81 +2478,76 @@ 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 -0.709406900 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 +1: GGA PW91 0 3 Ex 0.317906206 0.321279947 0.003373742 2 +1: GGA PW91 0 4 Ex -0.072608953 -0.037316481 0.035292472 2 1: GGA PBE 0 1 Ex -1.136487662 -1.142803560 0.006315898 2 1: GGA PBE 0 2 Ex -1.115006670 -1.108690758 0.006315912 2 -6: 1 7.800 0.000023687 -0.117391049 -0.117391056 0.000000007 1: GGA PBE 0 3 Ex 0.035453791 0.040152142 0.004698351 2 -1: GGA PBE 0 4 Ex -0.008097554 0.020850738 0.028948292 2 -1: GGA RPBE 0 1 Ex -1.142545668 -1.149167998 0.006622331 2 -1: GGA RPBE 0 2 Ex -1.125922763 -1.119300420 0.006622344 2 +1: GGA PBE 0 4 Ex -0.008097554 0.020850700 0.028948254 2 +1: GGA RPBE 0 1 Ex -1.142545668 -1.149167998 0.006622330 2 +1: GGA RPBE 0 2 Ex -1.125922763 -1.119300419 0.006622344 2 1: GGA RPBE 0 3 Ex 0.027435650 0.032085716 0.004650066 2 -1: GGA RPBE 0 4 Ex -0.006266231 0.022877101 0.029143332 2 -1: GGA revPBE 0 1 Ex -1.224850975 -1.230856704 0.006005728 2 +1: GGA RPBE 0 4 Ex -0.006266231 0.022877064 0.029143295 2 +1: GGA revPBE 0 1 Ex -1.224850975 -1.230856703 0.006005728 2 1: GGA revPBE 0 2 Ex -1.273257471 -1.267251730 0.006005741 2 1: GGA revPBE 0 3 Ex -0.079893599 -0.075052756 0.004840844 2 -1: GGA revPBE 0 4 Ex 0.018247491 0.047408254 0.029160763 2 +1: GGA revPBE 0 4 Ex 0.018247491 0.047408216 0.029160725 2 1: GGA LYP 0 1 Ex -1.076230881 -1.033672213 0.042558668 2 1: GGA LYP 0 1 Ec -0.486258691 -0.535620198 0.049361507 2 1: GGA LYP 0 2 Ex -1.007380419 -1.049939087 0.042558668 2 1: GGA LYP 0 2 Ec -0.673195587 -0.623834080 0.049361507 2 1: GGA LYP 0 3 Ex 0.113635807 0.135987656 0.022351849 2 1: GGA LYP 0 3 Ec -0.308534242 -0.321884552 0.013350310 2 -1: GGA LYP 0 4 Ex -0.025954124 0.015460428 0.041414552 2 -1: GGA LYP 0 4 Ec 0.070468421 0.077488811 0.007020390 2 +1: GGA LYP 0 4 Ex -0.025954124 0.015460429 0.041414553 2 +1: GGA LYP 0 4 Ec 0.070468421 0.077488811 0.007020391 2 1: GGA WC 0 1 Ex -1.134215398 -1.140294118 0.006078720 2 1: GGA WC 0 2 Ex -1.110738506 -1.104659772 0.006078733 2 1: GGA WC 0 3 Ex 0.038747969 0.043370201 0.004622232 2 -1: GGA WC 0 4 Ex -0.008849936 0.019450490 0.028300426 2 -1: GGA PBEJsJrLO 0 1 Ex -1.135254026 -1.139441153 0.004187127 2 +1: GGA WC 0 4 Ex -0.008849936 0.019450453 0.028300388 2 +1: GGA PBEJsJrLO 0 1 Ex -1.135254026 -1.139441152 0.004187127 2 1: GGA PBEJsJrLO 0 2 Ex -1.111018609 -1.106831469 0.004187140 2 -7: 1 4.200 0.005250115 -0.477958213 -0.477958213 -0.000000000 -6: 1 8.000 0.000015954 -0.105308033 -0.105308040 0.000000008 1: GGA PBEJsJrLO 0 3 Ex 0.039999894 0.043318188 0.003318294 2 -1: GGA PBEJsJrLO 0 4 Ex -0.009135872 0.010946494 0.020082366 2 -1: GGA PBEJsJrHEG 0 1 Ex -1.084577775 -1.088933053 0.004355278 2 +1: GGA PBEJsJrLO 0 4 Ex -0.009135872 0.010946457 0.020082329 2 +1: GGA PBEJsJrHEG 0 1 Ex -1.084577775 -1.088933053 0.004355277 2 1: GGA PBEJsJrHEG 0 2 Ex -1.020260050 -1.015904759 0.004355291 2 1: GGA PBEJsJrHEG 0 3 Ex 0.106154650 0.109392994 0.003238344 2 -1: GGA PBEJsJrHEG 0 4 Ex -0.024245447 -0.004290090 0.019955356 2 -1: GGA PBEGcGxLO 0 1 Ex -1.133933017 -1.137210250 0.003277233 2 +1: GGA PBEJsJrHEG 0 4 Ex -0.024245447 -0.004290129 0.019955318 2 +1: GGA PBEGcGxLO 0 1 Ex -1.133933017 -1.137210249 0.003277232 2 1: GGA PBEGcGxLO 0 2 Ex -1.107918271 -1.104641025 0.003277246 2 1: GGA PBEGcGxLO 0 3 Ex 0.042936628 0.045697911 0.002761283 2 -1: GGA PBEGcGxLO 0 4 Ex -0.009806614 0.006630102 0.016436717 2 +1: GGA PBEGcGxLO 0 4 Ex -0.009806614 0.006630064 0.016436679 2 1: GGA PBEGcGxHEG 0 1 Ex -1.084244549 -1.087738333 0.003493784 2 -1: GGA PBEGcGxHEG 0 2 Ex -1.018938281 -1.015444485 0.003493797 2 +1: GGA PBEGcGxHEG 0 2 Ex -1.018938281 -1.015444484 0.003493797 2 1: GGA PBEGcGxHEG 0 3 Ex 0.107786211 0.110459161 0.002672950 2 -1: GGA PBEGcGxHEG 0 4 Ex -0.024618091 -0.008280896 0.016337195 2 -1: GGA PBESOL 0 1 Ex -1.133933017 -1.137210250 0.003277233 2 +1: GGA PBEGcGxHEG 0 4 Ex -0.024618091 -0.008280934 0.016337157 2 +1: GGA PBESOL 0 1 Ex -1.133933017 -1.137210249 0.003277232 2 1: GGA PBESOL 0 2 Ex -1.107918271 -1.104641025 0.003277246 2 1: GGA PBESOL 0 3 Ex 0.042936628 0.045697911 0.002761283 2 -1: GGA PBESOL 0 4 Ex -0.009806614 0.006630102 0.016436717 2 +1: GGA PBESOL 0 4 Ex -0.009806614 0.006630064 0.016436679 2 1: GGA AM05 0 1 Ex -1.023701110 -0.990630107 0.033071003 2 1: GGA AM05 0 1 Ec -0.081062868 -0.080183720 0.000879148 2 -1: GGA AM05 0 2 Ex -0.906644221 -0.939715222 0.033071002 2 +1: GGA AM05 0 2 Ex -0.906644221 -0.939715223 0.033071002 2 1: GGA AM05 0 2 Ec -0.104320148 -0.105199296 0.000879148 2 1: GGA AM05 0 3 Ex 0.193199199 0.204323441 0.011124242 2 1: GGA AM05 0 3 Ec -0.038385505 -0.039003577 0.000618072 2 1: GGA AM05 0 4 Ex -0.044126196 -0.039285525 0.004840671 2 1: GGA AM05 0 4 Ec 0.008767150 0.004894932 0.003872218 2 -1: GGA PW86 0 1 Ex -1.141211848 -1.130521457 0.010690392 2 +1: GGA PW86 0 1 Ex -1.141211848 -1.130521456 0.010690392 2 1: GGA PW86 0 2 Ex -1.121950831 -1.132641208 0.010690378 2 -7: 1 4.400 0.004234421 -0.443329016 -0.443329014 -0.000000002 -6: 1 8.200 0.000010638 -0.093651613 -0.093651624 0.000000011 1: GGA PW86 0 3 Ex 0.031789784 0.039628597 0.007838813 2 -1: GGA PW86 0 4 Ex -0.007260704 0.012880636 0.020141341 2 -1: GGA B88 0 1 Ex -1.075573039 -1.033017429 0.042555609 2 -1: GGA B88 0 2 Ex -1.006869403 -1.049424996 0.042555593 2 +1: GGA PW86 0 4 Ex -0.007260704 0.012880599 0.020141303 2 +1: GGA B88 0 1 Ex -1.075573039 -1.033017429 0.042555610 2 +1: GGA B88 0 2 Ex -1.006869403 -1.049424995 0.042555592 2 1: GGA B88 0 3 Ex 0.113393475 0.135740598 0.022347123 2 -1: GGA B88 0 4 Ex -0.025898776 0.015499130 0.041397906 2 +1: GGA B88 0 4 Ex -0.025898776 0.015499092 0.041397868 2 1: GGA C09 0 1 Ex -1.239750789 -1.242397181 0.002646392 2 1: GGA C09 0 2 Ex -1.296544516 -1.293898110 0.002646406 2 1: GGA C09 0 3 Ex -0.093736495 -0.091734771 0.002001724 2 -1: GGA C09 0 4 Ex 0.021409173 0.033683544 0.012274371 2 +1: GGA C09 0 4 Ex 0.021409173 0.033683506 0.012274334 2 1: GGA BH 0 1 Ex -1.145636323 -1.134195762 0.011440561 2 1: GGA BH 0 2 Ex -1.128124601 -1.139565147 0.011440546 2 1: GGA BH 0 3 Ex 0.028902619 0.035712269 0.006809650 2 -1: GGA BH 0 4 Ex -0.006601283 0.008039021 0.014640304 2 +1: GGA BH 0 4 Ex -0.006601283 0.008038984 0.014640267 2 1: 1: iSpin dens gradDens 1: 1 0.525514520 -7.260212796 7.774269130 5.247915539 @@ -2510,9 +2559,9 @@ 1: GGA PW91 0 3 Ex 0.336512092 0.360269886 0.023757794 2 1: GGA PW91 0 4 Ex 0.258015317 0.255613679 0.002401638 2 1: GGA PBE 0 1 Ex -1.217928577 -1.244850684 0.026922107 2 -1: GGA PBE 0 2 Ex -1.344048964 -1.317126862 0.026922101 2 +1: GGA PBE 0 2 Ex -1.344048964 -1.317126862 0.026922102 2 1: GGA PBE 0 3 Ex 0.092937605 0.106655807 0.013718202 2 -1: GGA PBE 0 4 Ex 0.071258436 0.077191424 0.005932987 2 +1: GGA PBE 0 4 Ex 0.071258436 0.077191423 0.005932987 2 1: GGA RPBE 0 1 Ex -1.229172948 -1.257125586 0.027952637 2 1: GGA RPBE 0 2 Ex -1.346811053 -1.318858421 0.027952633 2 1: GGA RPBE 0 3 Ex 0.086687046 0.101185503 0.014498458 2 @@ -2521,47 +2570,43 @@ 1: GGA revPBE 0 2 Ex -1.412081720 -1.384641784 0.027439936 2 1: GGA revPBE 0 3 Ex 0.000715987 0.014365878 0.013649891 2 1: GGA revPBE 0 4 Ex 0.000548971 0.007029309 0.006480338 2 -1: GGA LYP 0 1 Ex -1.103780684 -1.109188781 0.005408097 2 +1: GGA LYP 0 1 Ex -1.103780684 -1.109188780 0.005408096 2 1: GGA LYP 0 1 Ec -0.433259229 -0.459794662 0.026535433 2 1: GGA LYP 0 2 Ex -1.303713802 -1.298305706 0.005408096 2 1: GGA LYP 0 2 Ec -0.231763495 -0.205228062 0.026535433 2 -1: GGA LYP 0 3 Ex 0.147329908 0.092360534 0.054969374 2 +1: GGA LYP 0 3 Ex 0.147329908 0.092360534 0.054969375 2 1: GGA LYP 0 3 Ec -0.148481394 -0.105938837 0.042542557 2 1: GGA LYP 0 4 Ex 0.112962874 0.189441644 0.076478770 2 1: GGA LYP 0 4 Ec -0.113845757 -0.145848619 0.032002861 2 -6: 1 8.400 0.000007022 -0.082649174 -0.082649186 0.000000011 -6: 1 8.600 0.000004589 -0.072448262 -0.072448275 0.000000013 -7: 1 4.600 0.003381238 -0.409718658 -0.409718659 0.000000001 -7: 1 4.800 0.002673091 -0.377422521 -0.377422523 0.000000002 1: GGA WC 0 1 Ex -1.214279216 -1.238739780 0.024460564 2 -1: GGA WC 0 2 Ex -1.345964122 -1.321503563 0.024460559 2 +1: GGA WC 0 2 Ex -1.345964122 -1.321503563 0.024460558 2 1: GGA WC 0 3 Ex 0.097038076 0.109388612 0.012350536 2 -1: GGA WC 0 4 Ex 0.074402408 0.079940806 0.005538399 2 +1: GGA WC 0 4 Ex 0.074402408 0.079940807 0.005538399 2 1: GGA PBEJsJrLO 0 1 Ex -1.215547434 -1.234427904 0.018880470 2 1: GGA PBEJsJrLO 0 2 Ex -1.350009729 -1.331129264 0.018880465 2 1: GGA PBEJsJrLO 0 3 Ex 0.099084723 0.108524467 0.009439744 2 -1: GGA PBEJsJrLO 0 4 Ex 0.075971642 0.080368284 0.004396642 2 +1: GGA PBEJsJrLO 0 4 Ex 0.075971642 0.080368285 0.004396643 2 1: GGA PBEJsJrHEG 0 1 Ex -1.104815112 -1.123370513 0.018555402 2 1: GGA PBEJsJrHEG 0 2 Ex -1.311046508 -1.292491112 0.018555397 2 1: GGA PBEJsJrHEG 0 3 Ex 0.151971085 0.161427350 0.009456265 2 1: GGA PBEJsJrHEG 0 4 Ex 0.116521423 0.120608850 0.004087427 2 1: GGA PBEGcGxLO 0 1 Ex -1.213035425 -1.228514168 0.015478744 2 1: GGA PBEGcGxLO 0 2 Ex -1.352032263 -1.336553524 0.015478738 2 -1: GGA PBEGcGxLO 0 3 Ex 0.102426210 0.110024699 0.007598490 2 +1: GGA PBEGcGxLO 0 3 Ex 0.102426210 0.110024699 0.007598489 2 1: GGA PBEGcGxLO 0 4 Ex 0.078533674 0.082321382 0.003787707 2 1: GGA PBEGcGxHEG 0 1 Ex -1.104159714 -1.119460300 0.015300586 2 1: GGA PBEGcGxHEG 0 2 Ex -1.313556683 -1.298256102 0.015300581 2 -1: GGA PBEGcGxHEG 0 3 Ex 0.154303783 0.162034849 0.007731067 2 +1: GGA PBEGcGxHEG 0 3 Ex 0.154303783 0.162034850 0.007731067 2 1: GGA PBEGcGxHEG 0 4 Ex 0.118309982 0.121767117 0.003457136 2 1: GGA PBESOL 0 1 Ex -1.213035425 -1.228514168 0.015478744 2 1: GGA PBESOL 0 2 Ex -1.352032263 -1.336553524 0.015478738 2 -1: GGA PBESOL 0 3 Ex 0.102426210 0.110024699 0.007598490 2 +1: GGA PBESOL 0 3 Ex 0.102426210 0.110024699 0.007598489 2 1: GGA PBESOL 0 4 Ex 0.078533674 0.082321382 0.003787707 2 -1: GGA AM05 0 1 Ex -0.984591766 -0.970264464 0.014327302 2 +1: GGA AM05 0 1 Ex -0.984591766 -0.970264463 0.014327302 2 1: GGA AM05 0 1 Ec -0.136612568 -0.134704933 0.001907635 2 -1: GGA AM05 0 2 Ex -1.283367962 -1.297695264 0.014327303 2 +1: GGA AM05 0 2 Ex -1.283367962 -1.297695264 0.014327302 2 1: GGA AM05 0 2 Ec -0.082657479 -0.084565114 0.001907635 2 -1: GGA AM05 0 3 Ex 0.220166975 0.174852771 0.045314203 2 +1: GGA AM05 0 3 Ex 0.220166975 0.174852772 0.045314203 2 1: GGA AM05 0 3 Ec -0.039759287 -0.040748089 0.000988801 2 1: GGA AM05 0 4 Ex 0.168809541 0.215230866 0.046421325 2 1: GGA AM05 0 4 Ec -0.030484804 -0.030883339 0.000398535 2 @@ -2569,16 +2614,14 @@ 1: GGA PW86 0 2 Ex -1.337820717 -1.313254132 0.024566586 2 1: GGA PW86 0 3 Ex 0.075466873 0.071607487 0.003859386 2 1: GGA PW86 0 4 Ex 0.057863030 0.084636773 0.026773743 2 -1: GGA B88 0 1 Ex -1.103069339 -1.108459764 0.005390425 2 -1: GGA B88 0 2 Ex -1.302431963 -1.297041545 0.005390419 2 +1: GGA B88 0 1 Ex -1.103069339 -1.108459763 0.005390424 2 +1: GGA B88 0 2 Ex -1.302431963 -1.297041544 0.005390419 2 1: GGA B88 0 3 Ex 0.146909514 0.091939416 0.054970098 2 1: GGA B88 0 4 Ex 0.112640543 0.189104600 0.076464057 2 1: GGA C09 0 1 Ex -1.442453933 -1.454415454 0.011961521 2 1: GGA C09 0 2 Ex -1.436978779 -1.425017263 0.011961516 2 1: GGA C09 0 3 Ex -0.004034619 0.002104613 0.006139232 2 1: GGA C09 0 4 Ex -0.003093480 -0.000515129 0.002578351 2 -6: 1 8.800 0.000002969 -0.063127570 -0.063127580 0.000000010 -6: 1 9.000 0.000001902 -0.054712232 -0.054712227 -0.000000005 1: GGA BH 0 1 Ex 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0.390149933 2 1: GGA PBEGcGxLO 0 2 Ex -1.374497135 -0.984347208 0.390149927 2 -1: GGA PBEGcGxLO 0 3 Ex 0.007508601 0.028955206 0.021446606 2 +1: GGA PBEGcGxLO 0 3 Ex 0.007508601 0.028955210 0.021446609 2 1: GGA PBEGcGxLO 0 4 Ex -0.020994839 0.181734558 0.202729397 2 -1: GGA PBEGcGxHEG 0 1 Ex -1.455471068 -1.758801484 0.303330416 2 +1: GGA PBEGcGxHEG 0 1 Ex -1.455471068 -1.758801485 0.303330416 2 1: GGA PBEGcGxHEG 0 2 Ex -1.449531629 -1.146201218 0.303330410 2 -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 -1: GGA PBEGcGxHEG 0 3 Ex 0.002124354 0.010009989 0.007885635 2 +1: GGA PBEGcGxHEG 0 3 Ex 0.002124354 0.010009985 0.007885632 2 1: GGA PBEGcGxHEG 0 4 Ex -0.005939917 0.148533262 0.154473179 2 1: GGA PBESOL 0 1 Ex -1.395490287 -1.785640219 0.390149933 2 1: GGA PBESOL 0 2 Ex -1.374497135 -0.984347208 0.390149927 2 -1: GGA PBESOL 0 3 Ex 0.007508601 0.028955206 0.021446606 2 +1: GGA PBESOL 0 3 Ex 0.007508601 0.028955210 0.021446609 2 1: GGA PBESOL 0 4 Ex -0.020994839 0.181734558 0.202729397 2 1: GGA AM05 0 1 Ex -1.339655204 -1.658427184 0.318771980 2 1: GGA AM05 0 1 Ec -0.079514682 -0.075837045 0.003677637 2 1: GGA AM05 0 2 Ex -1.272836548 -0.954064568 0.318771980 2 1: GGA AM05 0 2 Ec -0.081393721 -0.085071358 0.003677637 2 -1: GGA AM05 0 3 Ex 0.023898965 0.061019652 0.037120686 2 +1: GGA AM05 0 3 Ex 0.023898965 0.061019666 0.037120701 2 1: GGA AM05 0 3 Ec -0.000672074 -0.000198636 0.000473438 2 1: GGA AM05 0 4 Ex -0.066824027 0.105825011 0.172649037 2 1: GGA AM05 0 4 Ec 0.001879190 0.000209840 0.001669350 2 1: GGA PW86 0 1 Ex -1.519180896 -1.957330787 0.438149891 2 -1: GGA PW86 0 2 Ex -1.534581935 -1.096432052 0.438149884 2 +1: GGA PW86 0 2 Ex -1.534581935 -1.096432051 0.438149884 2 1: GGA PW86 0 3 Ex -0.005508475 0.000958212 0.006466687 2 -6: 2 11.200 0.000000005 -0.007563161 -0.007563160 -0.000000000 1: GGA PW86 0 4 Ex 0.015402277 0.236772293 0.221370016 2 1: GGA B88 0 1 Ex -1.361444390 -1.937654313 0.576209923 2 1: GGA B88 0 2 Ex -1.321613562 -0.745403646 0.576209916 2 +7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 +7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 +7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 +7: 2 6.400 0.000189678 -0.188871729 -0.188871732 0.000000002 +7: 2 6.600 0.000137039 -0.180551188 -0.180551190 0.000000003 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.14 sec 1: GGA B88 0 3 Ex 0.014246255 0.057004042 0.042757787 2 -1: GGA B88 0 4 Ex -0.039834029 0.263539616 0.303373645 2 +1: GGA B88 0 4 Ex -0.039834029 0.263539614 0.303373643 2 1: GGA C09 0 1 Ex -1.290712272 -1.776998015 0.486285743 2 1: GGA C09 0 2 Ex -1.201674897 -0.715389161 0.486285736 2 -1: GGA C09 0 3 Ex 0.031845913 0.090980094 0.059134180 2 +1: GGA C09 0 3 Ex 0.031845913 0.090980098 0.059134184 2 1: GGA C09 0 4 Ex -0.089044531 0.175227506 0.264272037 2 1: GGA BH 0 1 Ex -1.208428632 -1.810278960 0.601850328 2 1: GGA BH 0 2 Ex -1.085747353 -0.483897032 0.601850321 2 -1: GGA BH 0 3 Ex 0.043879297 0.128376100 0.084496804 2 -1: GGA BH 0 4 Ex -0.122691139 0.208429238 0.331120376 2 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000001 +1: GGA BH 0 3 Ex 0.043879297 0.128376096 0.084496800 2 +1: GGA BH 0 4 Ex -0.122691139 0.208429240 0.331120378 2 1: 1: iSpin dens gradDens 1: 1 0.088985179 0.651257847 -0.335558150 0.699917295 1: 2 0.087833528 0.542720461 -0.201115841 -0.078425602 1: 3 -0.000171136 0.139795743 0.517424151 -0.671834285 1: 4 -0.000191637 -0.076875027 0.043334504 0.145585591 -1: GGA PW91 0 1 Ex -0.852044354 -0.068708936 0.783335418 2 +1: GGA PW91 0 1 Ex -0.852044354 -0.068708937 0.783335418 2 1: GGA PW91 0 2 Ex -0.549629975 -1.332965404 0.783335430 2 -1: GGA PW91 0 3 Ex 0.044939069 6.752042830 6.707103761 2 +1: GGA PW91 0 3 Ex 0.044939069 6.752042800 6.707103732 2 1: GGA PW91 0 4 Ex 0.050322276 -3.585543096 3.635865372 2 1: GGA PBE 0 1 Ex -0.744042751 0.420429880 1.164472631 2 1: GGA PBE 0 2 Ex -0.564211126 -1.728683768 1.164472643 2 -1: GGA PBE 0 3 Ex 0.026723153 8.699462861 8.672739708 2 +1: GGA PBE 0 3 Ex 0.026723153 8.699462771 8.672739618 2 1: GGA PBE 0 4 Ex 0.029924294 -4.216071695 4.245995989 2 1: GGA RPBE 0 1 Ex -0.885339959 0.276106620 1.161446579 2 -6: 2 11.400 0.000000003 -0.006258998 -0.006258954 -0.000000044 1: GGA RPBE 0 2 Ex -0.528846749 -1.690293340 1.161446591 2 -1: GGA RPBE 0 3 Ex 0.052975235 9.650442451 9.597467216 2 -1: GGA RPBE 0 4 Ex 0.059321087 -5.021572590 5.080893677 2 +1: GGA RPBE 0 3 Ex 0.052975235 9.650442421 9.597467187 2 +1: GGA RPBE 0 4 Ex 0.059321087 -5.021572620 5.080893707 2 1: GGA revPBE 0 1 Ex -0.737826416 1.257261050 1.995087466 2 1: GGA revPBE 0 2 Ex -0.507984056 -2.503071535 1.995087478 2 -1: GGA revPBE 0 3 Ex 0.034154796 14.444764882 14.410610086 2 +1: GGA revPBE 0 3 Ex 0.034154796 14.444764853 14.410610056 2 1: GGA revPBE 0 4 Ex 0.038246166 -6.836001575 6.874247741 2 -1: GGA LYP 0 1 Ex -0.514891899 2.530169048 3.045060947 2 +1: GGA LYP 0 1 Ex -0.514891899 2.530169047 3.045060947 2 1: GGA LYP 0 1 Ec -0.294848853 -0.730176574 0.435327721 2 -1: GGA LYP 0 2 Ex -0.486097929 -3.531158875 3.045060946 2 +1: GGA LYP 0 2 Ex -0.486097929 -3.531158876 3.045060946 2 1: GGA LYP 0 2 Ec -0.019900213 0.415427508 0.435327721 2 -1: GGA LYP 0 3 Ex 0.004278812 20.305362612 20.301083800 2 -1: GGA LYP 0 3 Ec 0.040857633 -2.719234608 2.760092241 2 -1: GGA LYP 0 4 Ex 0.004791366 -8.974863857 8.979655224 2 +1: GGA LYP 0 3 Ex 0.004278812 20.305362642 20.301083830 2 +1: GGA LYP 0 3 Ec 0.040857633 -2.719234599 2.760092232 2 +1: GGA LYP 0 4 Ex 0.004791366 -8.974863887 8.979655253 2 1: GGA LYP 0 4 Ec 0.045751929 1.202521808 1.156769879 2 1: GGA WC 0 1 Ex -0.700448930 0.638931682 1.339380612 2 1: GGA WC 0 2 Ex -0.506820626 -1.846201249 1.339380622 2 -1: GGA WC 0 3 Ex 0.028773353 9.876884103 9.848110750 2 -7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 -1: GGA WC 0 4 Ex 0.032220085 -4.737852633 4.770072718 2 +1: GGA WC 0 3 Ex 0.028773353 9.876884043 9.848110691 2 +1: GGA WC 0 4 Ex 0.032220085 -4.737852663 4.770072748 2 1: GGA PBEJsJrLO 0 1 Ex -0.683386836 0.591099867 1.274486703 2 1: GGA PBEJsJrLO 0 2 Ex -0.528124860 -1.802611574 1.274486714 2 -1: GGA PBEJsJrLO 0 3 Ex 0.023072079 9.272394836 9.249322756 2 -1: GGA PBEJsJrLO 0 4 Ex 0.025835862 -4.404495776 4.430331637 2 +1: GGA PBEJsJrLO 0 3 Ex 0.023072079 9.272394806 9.249322727 2 +1: GGA PBEJsJrLO 0 4 Ex 0.025835862 -4.404495806 4.430331667 2 1: GGA PBEJsJrHEG 0 1 Ex -0.684869790 0.113608215 0.798478005 2 1: GGA PBEJsJrHEG 0 2 Ex -0.560533708 -1.359011723 0.798478015 2 -1: GGA PBEJsJrHEG 0 3 Ex 0.018476462 5.966988742 5.948512281 2 -1: GGA PBEJsJrHEG 0 4 Ex 0.020689739 -2.892234281 2.912924020 2 -6: 2 11.600 0.000000002 -0.005161710 -0.005161564 -0.000000146 +1: GGA PBEJsJrHEG 0 3 Ex 0.018476462 5.966988683 5.948512221 2 +1: GGA PBEJsJrHEG 0 4 Ex 0.020689739 -2.892234266 2.912924005 2 1: GGA PBEGcGxLO 0 1 Ex -0.650187710 0.661495626 1.311683337 2 -6: avgDiffVxc, maxDiffVxc = 0.000000038 0.000000389 1: GGA PBEGcGxLO 0 2 Ex -0.514858134 -1.826541481 1.311683347 2 -1: GGA PBEGcGxLO 0 3 Ex 0.020110106 9.399587244 9.379477138 2 +1: GGA PBEGcGxLO 0 3 Ex 0.020110106 9.399587154 9.379477049 2 1: GGA PBEGcGxLO 0 4 Ex 0.022519076 -4.412276089 4.434795165 2 1: GGA PBEGcGxHEG 0 1 Ex -0.662260718 0.181920528 0.844181246 2 1: GGA PBEGcGxHEG 0 2 Ex -0.545614881 -1.389796136 0.844181255 2 -1: GGA PBEGcGxHEG 0 3 Ex 0.017333684 6.219511837 6.202178153 2 -1: GGA PBEGcGxHEG 0 4 Ex 0.019410069 -2.982715964 3.002126033 2 +1: GGA PBEGcGxHEG 0 3 Ex 0.017333684 6.219511777 6.202178093 2 +1: GGA PBEGcGxHEG 0 4 Ex 0.019410069 -2.982715920 3.002125989 2 1: GGA PBESOL 0 1 Ex -0.650187710 0.661495626 1.311683337 2 1: GGA PBESOL 0 2 Ex -0.514858134 -1.826541481 1.311683347 2 -1: GGA PBESOL 0 3 Ex 0.020110106 9.399587244 9.379477138 2 +1: GGA PBESOL 0 3 Ex 0.020110106 9.399587154 9.379477049 2 1: GGA PBESOL 0 4 Ex 0.022519076 -4.412276089 4.434795165 2 -1: GGA AM05 0 1 Ex -0.454047209 1.518201096 1.972248305 2 +1: GGA AM05 0 1 Ex -0.454047209 1.518201097 1.972248305 2 1: GGA AM05 0 1 Ec -0.053664064 -0.062379197 0.008715133 2 -1: GGA AM05 0 2 Ex -0.459260243 -2.431508549 1.972248305 2 +1: GGA AM05 0 2 Ex -0.459260243 -2.431508548 1.972248305 2 1: GGA AM05 0 2 Ec -0.056084232 -0.047369099 0.008715133 2 -1: GGA AM05 0 3 Ex -0.000774662 13.006759703 13.007534365 2 -1: GGA AM05 0 3 Ec -0.000359639 -0.070913214 0.070553575 2 -1: GGA AM05 0 4 Ex -0.000867458 -5.690760225 5.689892767 2 -1: GGA AM05 0 4 Ec -0.000402720 0.036416387 0.036819107 2 +1: GGA AM05 0 3 Ex -0.000774662 13.006759673 13.007534335 2 +1: GGA AM05 0 3 Ec -0.000359639 -0.070913218 0.070553579 2 +1: GGA AM05 0 4 Ex -0.000867458 -5.690760240 5.689892782 2 +1: GGA AM05 0 4 Ec -0.000402720 0.036416385 0.036819105 2 1: GGA PW86 0 1 Ex -0.668994857 0.959637010 1.628631867 2 1: GGA PW86 0 2 Ex -0.581404109 -2.210035988 1.628631879 2 -1: GGA PW86 0 3 Ex 0.013016070 11.264533609 11.251517540 2 -1: GGA PW86 0 4 Ex 0.014575252 -5.139639974 5.154215226 2 -7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.07 sec +1: GGA PW86 0 3 Ex 0.013016070 11.264533579 11.251517510 2 +1: GGA PW86 0 4 Ex 0.014575252 -5.139639944 5.154215196 2 1: GGA B88 0 1 Ex -0.514782290 2.529957592 3.044739882 2 1: GGA B88 0 2 Ex -0.486004164 -3.530744058 3.044739893 2 -1: GGA B88 0 3 Ex 0.004276457 20.303231150 20.298954693 2 +1: GGA B88 0 3 Ex 0.004276457 20.303231090 20.298954633 2 1: GGA B88 0 4 Ex 0.004788730 -8.973929107 8.978717837 2 1: GGA C09 0 1 Ex -0.487889001 2.232498889 2.720387891 2 1: GGA C09 0 2 Ex -0.431036965 -3.151424866 2.720387901 2 -1: GGA C09 0 3 Ex 0.008448267 18.223665059 18.215216791 2 -1: GGA C09 0 4 Ex 0.009460277 -8.083032042 8.092492319 2 +1: GGA C09 0 3 Ex 0.008448267 18.223665029 18.215216761 2 +1: GGA C09 0 4 Ex 0.009460277 -8.083032012 8.092492289 2 1: GGA BH 0 1 Ex -0.673208471 1.358358588 2.031567059 2 1: GGA BH 0 2 Ex -0.388475507 -2.420042576 2.031567069 2 -1: GGA BH 0 3 Ex 0.042311593 15.063289464 15.020977870 2 +1: GGA BH 0 3 Ex 0.042311593 15.063289434 15.020977841 2 1: GGA BH 0 4 Ex 0.047380058 -7.262328565 7.309708623 2 1: 1: iSpin dens gradDens @@ -4764,45 +4802,45 @@ 1: 2 1.225320015 9.502884405 5.318149209 -6.697523880 1: 3 0.231004294 7.936173671 -5.821049335 -4.816458735 1: 4 -0.167674060 -2.417226224 6.111543842 -1.135523970 -1: GGA PW91 0 1 Ex -1.711588181 -1.722183818 0.010595638 2 +1: GGA PW91 0 1 Ex -1.711588181 -1.722183818 0.010595637 2 1: GGA PW91 0 2 Ex -1.352551806 -1.341956170 0.010595636 2 -1: GGA PW91 0 3 Ex 0.173626202 0.060824649 0.112801553 2 -1: GGA PW91 0 4 Ex -0.126026273 -0.266339853 0.140313581 2 +1: GGA PW91 0 3 Ex 0.173626202 0.060824649 0.112801552 2 +1: GGA PW91 0 4 Ex -0.126026273 -0.266339852 0.140313580 2 1: GGA PBE 0 1 Ex -1.440308233 -1.488607592 0.048299359 2 1: GGA PBE 0 2 Ex -1.290671406 -1.242372048 0.048299358 2 1: GGA PBE 0 3 Ex 0.072362790 -0.063528645 0.135891435 2 -1: GGA PBE 0 4 Ex -0.052524404 -0.170941792 0.118417389 2 +1: GGA PBE 0 4 Ex -0.052524404 -0.170941794 0.118417390 2 1: GGA RPBE 0 1 Ex 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2 +1: GGA AM05 0 4 Ex 0.000897253 0.017999155 0.017101903 2 1: GGA AM05 0 4 Ec 0.003282058 0.003246826 0.000035232 2 1: GGA PW86 0 1 Ex -0.843291987 -0.738461478 0.104830509 2 1: GGA PW86 0 2 Ex -0.890104565 -0.994935110 0.104830546 2 @@ -5324,17 +5365,16 @@ 1: 4 0.001810612 -0.866262362 -0.643062734 0.068116366 1: GGA PW91 0 1 Ex -1.113975369 -1.154994364 0.041018995 2 1: GGA PW91 0 2 Ex -0.942386847 -0.901367848 0.041018999 2 -1: GGA PW91 0 3 Ex 0.181209627 0.191230537 0.010020911 2 +1: GGA PW91 0 3 Ex 0.181209627 0.191230537 0.010020910 2 1: GGA PW91 0 4 Ex 0.017288031 -0.291311014 0.308599045 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 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 0.011607982 0.021511490 2 +1: GGA PBE 0 3 Ex 0.033119472 0.011607983 0.021511489 2 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 1: GGA RPBE 0 3 Ex 0.065559446 0.051253237 0.014306210 2 -1: GGA RPBE 0 4 Ex 0.006254600 -0.192875884 0.199130484 2 +1: GGA RPBE 0 4 Ex 0.006254600 -0.192875881 0.199130481 2 1: GGA revPBE 0 1 Ex -0.891008443 -1.027454214 0.136445771 2 1: GGA revPBE 0 2 Ex -0.815179217 -0.678733440 0.136445777 2 1: GGA revPBE 0 3 Ex 0.080081032 0.039285508 0.040795523 2 @@ -5350,52 +5390,52 @@ 1: GGA WC 0 1 Ex -0.827632044 -0.921702626 0.094070582 2 1: GGA WC 0 2 Ex -0.767040695 -0.672970109 0.094070587 2 1: GGA WC 0 3 Ex 0.063988754 0.038270684 0.025718070 2 -1: GGA WC 0 4 Ex 0.006104750 -0.191161487 0.197266238 2 +1: GGA WC 0 4 Ex 0.006104750 -0.191161480 0.197266230 2 1: GGA PBEJsJrLO 0 1 Ex -0.802675476 -0.889175961 0.086500485 2 1: GGA PBEJsJrLO 0 2 Ex -0.764540495 -0.678040005 0.086500490 2 +7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA PBEJsJrLO 0 3 Ex 0.040273240 0.014604626 0.025668614 2 1: GGA PBEJsJrLO 0 4 Ex 0.003842208 -0.156374764 0.160216971 2 1: GGA PBEJsJrHEG 0 1 Ex -0.784742586 -0.836318304 0.051575718 2 1: GGA PBEJsJrHEG 0 2 Ex -0.772452316 -0.720876595 0.051575722 2 1: GGA PBEJsJrHEG 0 3 Ex 0.012979395 -0.001757034 0.014736429 2 -1: GGA PBEJsJrHEG 0 4 Ex 0.001238280 -0.100248653 0.101486933 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 1: GGA PBEGcGxLO 0 2 Ex -0.729011932 -0.637946107 0.091065825 2 -1: GGA PBEGcGxLO 0 3 Ex 0.040974897 0.013285013 0.027689884 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 -1: GGA PBEGcGxHEG 0 1 Ex -0.762210495 -0.818279797 0.056069301 2 +1: GGA PBEGcGxHEG 0 1 Ex -0.762210495 -0.818279796 0.056069301 2 1: GGA PBEGcGxHEG 0 2 Ex -0.746805407 -0.690736102 0.056069305 2 1: GGA PBEGcGxHEG 0 3 Ex 0.016268864 -0.000064392 0.016333256 2 -1: GGA PBEGcGxHEG 0 4 Ex 0.001552106 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0 4 Ec 0.000427392 0.001245602 0.000818210 2 1: GGA PW86 0 1 Ex -0.762265473 -0.877832560 0.115567087 2 1: GGA PW86 0 2 Ex -0.761987557 -0.646420465 0.115567092 2 +7: 2 10.000 0.000000117 -0.029088011 -0.029090106 0.000002095 1: GGA PW86 0 3 Ex 0.000293498 -0.041935751 0.042229249 2 1: GGA PW86 0 4 Ex 0.000028001 -0.130850773 0.130878774 2 1: GGA B88 0 1 Ex -0.584861908 -0.812039411 0.227177503 2 1: GGA B88 0 2 Ex -0.591025653 -0.363848142 0.227177511 2 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 -4/9 Test #5: libgridxc_test6 .................. Passed 0.08 sec -1: GGA B88 0 3 Ex -0.006509351 -0.095677574 0.089168223 2 -1: GGA B88 0 4 Ex -0.000621015 -0.193377174 0.192756160 2 +1: GGA B88 0 3 Ex -0.006509351 -0.095677575 0.089168223 2 +1: GGA B88 0 4 Ex -0.000621015 -0.193377167 0.192756152 2 1: GGA C09 0 1 Ex -0.685585369 -0.883990894 0.198405526 2 1: GGA C09 0 2 Ex -0.573526202 -0.375120670 0.198405532 2 1: GGA C09 0 3 Ex 0.118342413 0.054610687 0.063731726 2 1: GGA C09 0 4 Ex 0.011290279 -0.305301186 0.316591465 2 1: GGA BH 0 1 Ex -0.768813740 -0.897883243 0.129069502 2 1: GGA BH 0 2 Ex -0.741981559 -0.612912051 0.129069508 2 -1: GGA BH 0 3 Ex 0.028336683 -0.015704617 0.044041300 2 +1: GGA BH 0 3 Ex 0.028336683 -0.015704617 0.044041301 2 1: GGA BH 0 4 Ex 0.002703419 -0.176189408 0.178892826 2 1: 1: iSpin dens gradDens @@ -5407,20 +5447,19 @@ 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 -1: GGA PBE 0 1 Ex -1.053398703 -1.077719598 0.024320894 2 -1: GGA PBE 0 2 Ex -1.059892237 -1.035571334 0.024320902 2 -1: GGA PBE 0 3 Ex 0.001912056 -0.015055239 0.016967294 2 +1: GGA PBE 0 1 Ex -1.053398703 -1.077719598 0.024320895 2 +1: GGA PBE 0 2 Ex -1.059892237 -1.035571333 0.024320903 2 +1: GGA PBE 0 3 Ex 0.001912056 -0.015055238 0.016967293 2 1: GGA PBE 0 4 Ex 0.002555080 0.046157104 0.043602024 2 1: GGA RPBE 0 1 Ex -1.047868069 -1.072167166 0.024299097 2 -1: GGA RPBE 0 2 Ex -1.138108292 -1.113809187 0.024299105 2 +1: GGA RPBE 0 2 Ex -1.138108292 -1.113809186 0.024299106 2 1: GGA RPBE 0 3 Ex 0.026571716 0.008757849 0.017813866 2 1: GGA RPBE 0 4 Ex 0.035507792 0.079715637 0.044207845 2 1: GGA revPBE 0 1 Ex -1.062891149 -1.093241484 0.030350335 2 1: GGA revPBE 0 2 Ex -1.196701571 -1.166351225 0.030350345 2 1: GGA revPBE 0 3 Ex 0.039401194 0.019081106 0.020320088 2 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA revPBE 0 4 Ex 0.052651827 0.106424534 0.053772707 2 -1: GGA 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Ex -0.101316504 -0.077766894 0.023549609 2 -1: GGA revPBE 0 1 Ex -1.354004839 -1.216804859 0.137199980 2 -1: GGA revPBE 0 2 Ex -1.382553433 -1.519753397 0.137199964 2 -1: GGA revPBE 0 3 Ex -0.015721588 -0.036567656 0.020846068 2 +1: GGA revPBE 0 1 Ex -1.354004839 -1.216804858 0.137199980 2 +1: GGA revPBE 0 2 Ex -1.382553433 -1.519753397 0.137199965 2 +1: GGA revPBE 0 3 Ex -0.015721588 -0.036567654 0.020846067 2 1: GGA revPBE 0 4 Ex -0.089974249 -0.064565139 0.025409110 2 1: GGA LYP 0 1 Ex -1.133370223 -0.969762806 0.163607417 2 1: GGA LYP 0 1 Ec 0.041592420 0.095901570 0.054309150 2 -1: GGA LYP 0 2 Ex -1.058407035 -1.222014453 0.163607418 2 +1: GGA LYP 0 2 Ex -1.058407035 -1.222014452 0.163607417 2 1: GGA LYP 0 2 Ec 0.042925976 -0.011383174 0.054309150 2 -1: GGA LYP 0 3 Ex 0.041281905 -0.015914896 0.057196801 2 -1: GGA LYP 0 3 Ec 0.000734384 0.006730548 0.005996165 2 +1: GGA LYP 0 3 Ex 0.041281905 -0.015914894 0.057196799 2 +1: GGA LYP 0 3 Ec 0.000734384 0.006730548 0.005996164 2 1: GGA LYP 0 4 Ex 0.236255299 0.272205645 0.035950346 2 1: GGA LYP 0 4 Ec 0.004202859 0.011771199 0.007568340 2 1: GGA WC 0 1 Ex -1.354664340 -1.274572392 0.080091949 2 1: GGA WC 0 2 Ex -1.337768326 -1.417860260 0.080091934 2 -1: GGA WC 0 3 Ex 0.009304563 -0.001977443 0.011282005 2 +1: GGA WC 0 3 Ex 0.009304563 -0.001977441 0.011282003 2 1: GGA WC 0 4 Ex 0.053249776 0.067927602 0.014677826 2 -1: GGA PBEJsJrLO 0 1 Ex -1.302289896 -1.210443713 0.091846183 2 -7: 2 11.400 0.000000003 -0.017861495 -0.017862944 0.000001448 +1: GGA PBEJsJrLO 0 1 Ex -1.302289896 -1.210443714 0.091846182 2 1: GGA PBEJsJrLO 0 2 Ex -1.286365080 -1.378211248 0.091846168 2 -1: GGA PBEJsJrLO 0 3 Ex 0.008769728 -0.004771073 0.013540801 2 +1: GGA PBEJsJrLO 0 3 Ex 0.008769728 -0.004771071 0.013540799 2 1: GGA PBEJsJrLO 0 4 Ex 0.050188932 0.067126241 0.016937310 2 1: GGA PBEJsJrHEG 0 1 Ex -1.282645346 -1.206354759 0.076290587 2 -1: GGA PBEJsJrHEG 0 2 Ex -1.246776836 -1.323067408 0.076290572 2 -1: GGA PBEJsJrHEG 0 3 Ex 0.019752634 0.010007340 0.009745295 2 +1: GGA PBEJsJrHEG 0 2 Ex -1.246776836 -1.323067408 0.076290573 2 +1: GGA PBEJsJrHEG 0 3 Ex 0.019752634 0.010007340 0.009745294 2 1: GGA PBEJsJrHEG 0 4 Ex 0.113043826 0.126850056 0.013806230 2 -1: GGA PBEGcGxLO 0 1 Ex -1.292686123 -1.210730703 0.081955420 2 +1: GGA PBEGcGxLO 0 1 Ex -1.292686123 -1.210730703 0.081955419 2 1: GGA PBEGcGxLO 0 2 Ex -1.269112937 -1.351068343 0.081955405 2 -1: GGA PBEGcGxLO 0 3 Ex 0.012981652 -0.000356247 0.013337898 2 +1: GGA PBEGcGxLO 0 3 Ex 0.012981652 -0.000356245 0.013337897 2 1: GGA PBEGcGxLO 0 4 Ex 0.074293664 0.089626363 0.015332699 2 1: GGA PBEGcGxHEG 0 1 Ex -1.275578414 -1.206491943 0.069086471 2 -1: GGA PBEGcGxHEG 0 2 Ex -1.236019684 -1.305106141 0.069086457 2 +1: GGA PBEGcGxHEG 0 2 Ex -1.236019684 -1.305106141 0.069086458 2 1: GGA PBEGcGxHEG 0 3 Ex 0.021784822 0.012307543 0.009477279 2 1: GGA PBEGcGxHEG 0 4 Ex 0.124673988 0.137290462 0.012616475 2 -1: GGA PBESOL 0 1 Ex -1.292686123 -1.210730703 0.081955420 2 +1: GGA PBESOL 0 1 Ex -1.292686123 -1.210730703 0.081955419 2 1: GGA PBESOL 0 2 Ex -1.269112937 -1.351068343 0.081955405 2 -1: GGA PBESOL 0 3 Ex 0.012981652 -0.000356247 0.013337898 2 +1: GGA PBESOL 0 3 Ex 0.012981652 -0.000356245 0.013337897 2 1: GGA PBESOL 0 4 Ex 0.074293664 0.089626363 0.015332699 2 1: GGA AM05 0 1 Ex -1.092837709 -1.010543649 0.082294060 2 1: GGA AM05 0 1 Ec -0.084729734 -0.086126041 0.001396307 2 -1: GGA AM05 0 2 Ex -0.993141159 -1.075435219 0.082294060 2 +1: GGA AM05 0 2 Ex -0.993141159 -1.075435220 0.082294060 2 1: GGA AM05 0 2 Ec -0.096226544 -0.094830237 0.001396307 2 -1: GGA AM05 0 3 Ex 0.054902461 0.018983358 0.035919104 2 +1: GGA AM05 0 3 Ex 0.054902461 0.018983360 0.035919101 2 1: GGA AM05 0 3 Ec -0.006331244 -0.006186915 0.000144329 2 -1: GGA AM05 0 4 Ex 0.314205395 0.333537540 0.019332145 2 +1: GGA AM05 0 4 Ex 0.314205395 0.333537540 0.019332144 2 1: GGA AM05 0 4 Ec -0.036233550 -0.036480291 0.000246742 2 1: GGA PW86 0 1 Ex -1.260844232 -1.128629191 0.132215041 2 1: GGA PW86 0 2 Ex -1.220652182 -1.352867207 0.132215025 2 -1: GGA PW86 0 3 Ex 0.022133589 -0.007377545 0.029511134 2 +1: GGA PW86 0 3 Ex 0.022133589 -0.007377543 0.029511132 2 1: GGA PW86 0 4 Ex 0.126669969 0.152802310 0.026132340 2 1: GGA B88 0 1 Ex -1.132193268 -0.968680806 0.163512462 2 1: GGA B88 0 2 Ex -1.057428557 -1.220941001 0.163512444 2 -1: GGA B88 0 3 Ex 0.041172605 -0.016005466 0.057178070 2 +1: GGA B88 0 3 Ex 0.041172605 -0.016005465 0.057178069 2 1: GGA B88 0 4 Ex 0.235629774 0.271561772 0.035931998 2 -1: GGA C09 0 1 Ex -1.402752204 -1.321311560 0.081440644 2 +1: GGA C09 0 1 Ex -1.402752204 -1.321311559 0.081440645 2 1: GGA C09 0 2 Ex -1.424123322 -1.505563951 0.081440629 2 -1: GGA C09 0 3 Ex -0.011768983 -0.027547717 0.015778735 2 +1: GGA C09 0 3 Ex -0.011768983 -0.027547713 0.015778731 2 1: GGA C09 0 4 Ex -0.067353589 -0.051676062 0.015677528 2 1: GGA BH 0 1 Ex -1.246237729 -1.146006998 0.100230731 2 -7: 2 11.600 0.000000002 -0.016855994 -0.016857325 0.000001331 -7: avgDiffVxc, maxDiffVxc = 0.000000679 0.000002261 1: GGA BH 0 2 Ex -1.218560337 -1.318791053 0.100230716 2 -1: GGA BH 0 3 Ex 0.015241821 -0.010482325 0.025724146 2 +1: GGA BH 0 3 Ex 0.015241821 -0.010482322 0.025724143 2 1: GGA BH 0 4 Ex 0.087228555 0.107624911 0.020396356 2 1: 1: iSpin dens gradDens @@ -5966,53 +6001,52 @@ 1: GGA PW91 0 1 Ex -1.071224439 -1.211909408 0.140684969 2 1: GGA PW91 0 2 Ex -0.603188027 -0.462503053 0.140684974 2 1: GGA PW91 0 3 Ex 0.094919055 0.119210255 0.024291200 2 -1: GGA PW91 0 4 Ex -0.099155565 0.256130006 0.355285570 2 +1: GGA PW91 0 4 Ex -0.099155565 0.256130007 0.355285571 2 1: GGA PBE 0 1 Ex -0.759950928 -0.885301960 0.125351031 2 1: GGA PBE 0 2 Ex -0.576633383 -0.451282347 0.125351036 2 1: GGA PBE 0 3 Ex 0.037177296 -0.137781925 0.174959221 2 -1: GGA PBE 0 4 Ex -0.038836625 0.089521866 0.128358491 2 +1: GGA PBE 0 4 Ex -0.038836625 0.089521865 0.128358490 2 1: GGA RPBE 0 1 Ex -0.884811538 -1.057453572 0.172642034 2 1: GGA RPBE 0 2 Ex -0.543063122 -0.370421083 0.172642039 2 1: GGA RPBE 0 3 Ex 0.069307507 -0.108028293 0.177335799 2 -5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.08 sec -1: GGA RPBE 0 4 Ex -0.072400899 0.165294599 0.237695499 2 +1: GGA RPBE 0 4 Ex -0.072400899 0.165294600 0.237695499 2 1: GGA revPBE 0 1 Ex -0.812655520 -0.967121375 0.154465855 2 1: GGA revPBE 0 2 Ex -0.546900395 -0.392434535 0.154465860 2 1: GGA revPBE 0 3 Ex 0.053895861 -0.203530054 0.257425914 2 -1: GGA revPBE 0 4 Ex -0.056301388 0.061828102 0.118129490 2 -1: GGA LYP 0 1 Ex -0.509974480 -0.618710893 0.108736413 2 +1: GGA revPBE 0 4 Ex -0.056301388 0.061828102 0.118129489 2 +1: GGA LYP 0 1 Ex -0.509974480 -0.618710893 0.108736412 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 1: GGA LYP 0 2 Ec -0.071466379 -0.024220576 0.047245803 2 1: GGA LYP 0 3 Ex -0.008166070 -0.469204498 0.461038428 2 1: GGA LYP 0 3 Ec 0.079250964 0.250227271 0.170976307 2 1: GGA LYP 0 4 Ex 0.008530545 -0.176179529 0.184710074 2 -1: GGA LYP 0 4 Ec -0.082788162 0.192388402 0.275176564 2 +1: GGA LYP 0 4 Ec -0.082788162 0.192388403 0.275176565 2 1: GGA WC 0 1 Ex -0.750353418 -0.843475529 0.093122111 2 -1: GGA WC 0 2 Ex -0.592877063 -0.499754948 0.093122115 2 -1: GGA WC 0 3 Ex 0.031936632 -0.113695355 0.145631987 2 +1: GGA WC 0 2 Ex -0.592877063 -0.499754948 0.093122116 2 +1: GGA WC 0 3 Ex 0.031936632 -0.113695356 0.145631988 2 1: GGA WC 0 4 Ex -0.033362056 0.047006784 0.080368840 2 1: GGA PBEJsJrLO 0 1 Ex -0.716291544 -0.820067430 0.103775886 2 1: GGA PBEJsJrLO 0 2 Ex -0.570660827 -0.466884936 0.103775891 2 1: GGA PBEJsJrLO 0 3 Ex 0.029534305 -0.138079252 0.167613556 2 -1: GGA PBEJsJrLO 0 4 Ex -0.030852505 0.053618048 0.084470553 2 +1: GGA PBEJsJrLO 0 4 Ex -0.030852505 0.053618047 0.084470552 2 1: GGA PBEJsJrHEG 0 1 Ex -0.684099874 -0.770310991 0.086211117 2 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 +1: GGA PBEJsJrHEG 0 4 Ex -0.020297460 0.068135032 0.088432492 2 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 1: GGA PBEGcGxLO 0 4 Ex -0.025168964 0.033676511 0.058845475 2 -1: GGA PBEGcGxHEG 0 1 Ex -0.668319515 -0.746699176 0.078379661 2 +1: GGA PBEGcGxHEG 0 1 Ex -0.668319515 -0.746699175 0.078379661 2 1: GGA PBEGcGxHEG 0 2 Ex -0.585174065 -0.506794399 0.078379666 2 -1: GGA PBEGcGxHEG 0 3 Ex 0.016862123 -0.100669025 0.117531148 2 +1: GGA PBEGcGxHEG 0 3 Ex 0.016862123 -0.100669025 0.117531147 2 1: GGA PBEGcGxHEG 0 4 Ex -0.017614728 0.054860495 0.072475223 2 1: GGA PBESOL 0 1 Ex -0.689628726 -0.780826007 0.091197281 2 1: GGA PBESOL 0 2 Ex -0.570825594 -0.479628309 0.091197285 2 1: GGA PBESOL 0 3 Ex 0.024093598 -0.139276830 0.163370428 2 1: GGA PBESOL 0 4 Ex -0.025168964 0.033676511 0.058845475 2 -1: GGA AM05 0 1 Ex -0.442053997 -0.488465055 0.046411059 2 +1: GGA AM05 0 1 Ex -0.442053997 -0.488465055 0.046411058 2 1: GGA AM05 0 1 Ec -0.064069927 -0.061507456 0.002562472 2 1: GGA AM05 0 2 Ex -0.546851216 -0.500440157 0.046411059 2 1: GGA AM05 0 2 Ec -0.052199801 -0.054762273 0.002562472 2 @@ -6020,21 +6054,23 @@ 1: GGA AM05 0 3 Ec 0.002407294 0.005202253 0.002794959 2 1: GGA AM05 0 4 Ex 0.022201750 -0.139765193 0.161966943 2 1: GGA AM05 0 4 Ec -0.002514738 -0.005886915 0.003372177 2 -1: GGA PW86 0 1 Ex -0.659836258 -0.771341729 0.111505470 2 +1: GGA PW86 0 1 Ex -0.659836258 -0.771341729 0.111505471 2 1: GGA PW86 0 2 Ex -0.596800481 -0.485295005 0.111505475 2 1: GGA PW86 0 3 Ex 0.012783827 -0.251587305 0.264371132 2 -1: GGA PW86 0 4 Ex -0.013354406 -0.003264696 0.010089710 2 +1: GGA PW86 0 4 Ex -0.013354406 -0.003264696 0.010089709 2 1: GGA B88 0 1 Ex -0.509876263 -0.618597879 0.108721615 2 1: GGA B88 0 2 Ex -0.550115445 -0.441393826 0.108721619 2 1: GGA B88 0 3 Ex -0.008160615 -0.469152161 0.460991546 2 1: GGA B88 0 4 Ex 0.008524847 -0.176175298 0.184700145 2 1: GGA C09 0 1 Ex -0.696282230 -0.782168405 0.085886175 2 1: GGA C09 0 2 Ex -0.555432928 -0.469546749 0.085886179 2 -1: GGA C09 0 3 Ex 0.028564621 -0.229434188 0.257998809 2 +1: GGA C09 0 3 Ex 0.028564621 -0.229434189 0.257998810 2 +4/9 Test #5: libgridxc_test6 .................. Passed 0.20 sec +5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.20 sec 1: GGA C09 0 4 Ex -0.029839542 -0.074114178 0.044274637 2 -1: GGA BH 0 1 Ex -0.674936167 -0.778486450 0.103550283 2 +1: GGA BH 0 1 Ex -0.674936167 -0.778486450 0.103550282 2 1: GGA BH 0 2 Ex -0.536910071 -0.433359784 0.103550287 2 -1: GGA BH 0 3 Ex 0.027992067 -0.222194904 0.250186972 2 +1: GGA BH 0 3 Ex 0.027992067 -0.222194905 0.250186972 2 1: GGA BH 0 4 Ex -0.029241433 -0.024348730 0.004892703 2 1: 1: iSpin dens gradDens @@ -6045,21 +6081,21 @@ 1: GGA PW91 0 1 Ex -0.667468407 -0.711870373 0.044401966 2 1: GGA PW91 0 2 Ex -0.881225862 -0.836823889 0.044401973 2 1: GGA PW91 0 3 Ex 0.402856443 0.387178729 0.015677714 2 -1: GGA PW91 0 4 Ex -0.515758528 -0.537205574 0.021447046 2 +1: GGA PW91 0 4 Ex -0.515758528 -0.537205575 0.021447047 2 1: GGA PBE 0 1 Ex -1.164311108 -1.207015377 0.042704269 2 1: GGA PBE 0 2 Ex -1.240108614 -1.197404335 0.042704278 2 1: GGA PBE 0 3 Ex 0.142851221 0.129231223 0.013619998 2 -1: GGA PBE 0 4 Ex -0.182885831 -0.202373798 0.019487967 2 +1: 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0.240934143 0.179590705 2 -1: GGA revPBE 0 1 Ex -0.891137520 -0.913482592 0.022345072 2 -1: GGA revPBE 0 2 Ex -1.609132434 -1.586787186 0.022345248 2 +1: GGA revPBE 0 1 Ex -0.891137520 -0.913482595 0.022345076 2 +1: GGA revPBE 0 2 Ex -1.609132434 -1.586787187 0.022345248 2 1: GGA revPBE 0 3 Ex -0.097358450 -0.089434279 0.007924171 2 1: GGA revPBE 0 4 Ex 0.050147058 0.225498706 0.175351648 2 1: GGA LYP 0 1 Ex -2.162622856 -2.184724782 0.022101925 2 @@ -9412,46 +9448,46 @@ 1: GGA LYP 0 3 Ec 0.046383233 0.035262582 0.011120651 2 1: GGA LYP 0 4 Ex -0.035306236 0.200144683 0.235450919 2 1: GGA LYP 0 4 Ec -0.023890917 0.058157400 0.082048317 2 -1: GGA WC 0 1 Ex -0.723913319 -0.740849517 0.016936198 2 +1: GGA WC 0 1 Ex -0.723913319 -0.740849521 0.016936202 2 1: GGA WC 0 2 Ex -1.644516188 -1.627579814 0.016936374 2 1: GGA WC 0 3 Ex -0.124831620 -0.118825570 0.006006050 2 1: GGA WC 0 4 Ex 0.064297845 0.197203986 0.132906142 2 -1: GGA PBEJsJrLO 0 1 Ex -0.723825769 -0.739111815 0.015286046 2 +1: GGA PBEJsJrLO 0 1 Ex -0.723825769 -0.739111807 0.015286038 2 1: GGA PBEJsJrLO 0 2 Ex -1.639621005 -1.624334793 0.015286212 2 1: GGA PBEJsJrLO 0 3 Ex -0.124179716 -0.118758869 0.005420847 2 -1: GGA PBEJsJrLO 0 4 Ex 0.063962064 0.183918721 0.119956657 2 +1: GGA PBEJsJrLO 0 4 Ex 0.063962064 0.183918720 0.119956656 2 1: GGA PBEJsJrHEG 0 1 Ex -0.627934601 -0.642404452 0.014469851 2 1: GGA PBEJsJrHEG 0 2 Ex -1.643577952 -1.629107931 0.014470021 2 1: GGA PBEJsJrHEG 0 3 Ex -0.137718890 -0.132587559 0.005131331 2 -1: GGA PBEJsJrHEG 0 4 Ex 0.070935775 0.184487326 0.113551551 2 -1: GGA PBEGcGxLO 0 1 Ex -0.724055830 -0.736810729 0.012754899 2 +1: GGA PBEJsJrHEG 0 4 Ex 0.070935775 0.184487329 0.113551553 2 +1: GGA PBEGcGxLO 0 1 Ex -0.724055830 -0.736810725 0.012754895 2 1: GGA PBEGcGxLO 0 2 Ex -1.650946390 -1.638191325 0.012755065 2 1: GGA PBEGcGxLO 0 3 Ex -0.125684217 -0.121160910 0.004523307 2 1: GGA PBEGcGxLO 0 4 Ex 0.064736997 0.164830907 0.100093910 2 -1: GGA PBEGcGxHEG 0 1 Ex -0.628135121 -0.640324123 0.012189003 2 +1: GGA PBEGcGxHEG 0 1 Ex -0.628135121 -0.640324131 0.012189010 2 1: GGA PBEGcGxHEG 0 2 Ex -1.653056284 -1.640867113 0.012189171 2 1: GGA PBEGcGxHEG 0 3 Ex -0.138976940 -0.134654409 0.004322531 2 1: GGA PBEGcGxHEG 0 4 Ex 0.071583768 0.167236708 0.095652941 2 -1: GGA PBESOL 0 1 Ex -0.724055830 -0.736810729 0.012754899 2 +1: GGA PBESOL 0 1 Ex -0.724055830 -0.736810725 0.012754895 2 1: GGA PBESOL 0 2 Ex -1.650946390 -1.638191325 0.012755065 2 1: GGA PBESOL 0 3 Ex -0.125684217 -0.121160910 0.004523307 2 1: GGA PBESOL 0 4 Ex 0.064736997 0.164830907 0.100093910 2 -1: GGA AM05 0 1 Ex -1.848779528 -1.852756407 0.003976880 2 -1: GGA AM05 0 1 Ec -0.250456780 -0.249914399 0.000542380 2 +1: GGA AM05 0 1 Ex -1.848779528 -1.852756411 0.003976883 2 +1: GGA AM05 0 1 Ec -0.250456780 -0.249914400 0.000542380 2 1: GGA AM05 0 2 Ex -1.713274449 -1.709297577 0.003976872 2 1: GGA AM05 0 2 Ec -0.052575235 -0.053117616 0.000542381 2 1: GGA AM05 0 3 Ex 0.018374175 0.038203524 0.019829349 2 1: GGA AM05 0 3 Ec 0.026832280 0.026639945 0.000192335 2 -1: GGA AM05 0 4 Ex -0.009464107 0.057503763 0.066967870 2 +1: GGA AM05 0 4 Ex -0.009464107 0.057503762 0.066967869 2 1: GGA AM05 0 4 Ec -0.013820679 -0.018076940 0.004256261 2 1: GGA PW86 0 1 Ex -1.827109881 -1.856287573 0.029177692 2 1: GGA PW86 0 2 Ex -1.573474625 -1.544296753 0.029177871 2 1: GGA PW86 0 3 Ex 0.034392354 0.047703228 0.013310874 2 1: GGA PW86 0 4 Ex -0.017714696 0.217009032 0.234723728 2 -1: GGA B88 0 1 Ex -2.162052420 -2.184131891 0.022079471 2 +1: GGA B88 0 1 Ex -2.162052420 -2.184131894 0.022079474 2 1: GGA B88 0 2 Ex -1.654435758 -1.632356088 0.022079670 2 1: GGA B88 0 3 Ex 0.068831646 0.108599160 0.039767515 2 -1: GGA B88 0 4 Ex -0.035453569 0.199819373 0.235272942 2 +1: GGA B88 0 4 Ex -0.035453569 0.199819372 0.235272941 2 1: GGA C09 0 1 Ex -0.892533561 -0.902783647 0.010250086 2 1: GGA C09 0 2 Ex -1.664712651 -1.654462402 0.010250249 2 1: GGA C09 0 3 Ex -0.104705699 -0.101070826 0.003634873 2 @@ -9465,121 +9501,121 @@ 1: error 1 => V=dE/dDens is positive 1: error 2 => analytical and numerical value of dE/dDens differ 1: error 3 => analytical and numerical value of dE/dGradDens differ -6/9 Test #1: libgridxc_test1 .................. Passed 0.15 sec +6/9 Test #1: libgridxc_test1 .................. Passed 0.31 sec +3: Ex, Ec = -3.716289981 -0.771674483 +3: Dx, Dc = 1.192543612 0.121155159 2: 2: funcs= VDW 2: auths= BH 2: dr, rMax = 0.200000 20.000000 2: iSpin r dens Vxc dExc/dDens diff 2: 1 0.000 0.047620227 -0.999477920 -2: 1 0.200 0.047382720 -0.999360161 -1.000195265 0.000835104 -2: 1 0.400 0.046677283 -0.999006885 -0.998709402 -0.000297483 -3: Ex, Ec = -3.716289981 -0.771674483 -3: Dx, Dc = 1.192543612 0.121155159 -2: 1 0.600 0.045524817 -0.987412253 -0.987507983 0.000095730 -2: 1 0.800 0.043959010 -0.980158453 -0.980143411 -0.000015042 -2: 1 1.000 0.042024703 -0.963929151 -0.963927476 -0.000001675 -2: 1 1.200 0.039775757 -0.949006509 -0.949005812 -0.000000697 -2: 1 1.400 0.037272568 -0.929353368 -0.929356364 0.000002995 -2: 1 1.600 0.034579382 -0.908100586 -0.908099068 -0.000001518 -2: 1 1.800 0.031761587 -0.884442948 -0.884442174 -0.000000774 +2: 1 0.200 0.047382720 -0.999360161 -1.000195026 0.000834865 +2: 1 0.400 0.046677283 -0.999006885 -0.998709440 -0.000297444 +2: 1 0.600 0.045524817 -0.987412253 -0.987508059 0.000095805 +2: 1 0.800 0.043959010 -0.980158453 -0.980143398 -0.000015055 3: i1 i2 i3 iSpin Vxc dExc/dDens diff 3: 2 8 13 2 -0.313847006 -0.313846985 -0.000000021 -2: 1 2.000 0.028883127 -0.858808538 -0.858809376 0.000000838 -2: 1 2.200 0.026004187 -0.831341143 -0.831341122 -0.000000020 -2: 1 2.400 0.023179251 -0.802320622 -0.802320399 -0.000000223 -2: 1 2.600 0.020455616 -0.772056571 -0.772056929 0.000000357 -2: 1 2.800 0.017872394 -0.740675199 -0.740674876 -0.000000323 -2: 1 3.000 0.015460016 -0.708430779 -0.708429553 -0.000001225 -2: 1 3.200 0.013240188 -0.675669578 -0.675674006 0.000004428 -3: 4 2 23 2 -0.524218962 -0.524218945 -0.000000017 -2: 1 3.400 0.011226266 -0.642459702 -0.642454692 -0.000005011 -2: 1 3.600 0.009423960 -0.609091304 -0.609092448 0.000001145 +2: 1 1.000 0.042024703 -0.963929151 -0.963927478 -0.000001674 +2: 1 1.200 0.039775757 -0.949006509 -0.949005812 -0.000000697 +2: 1 1.400 0.037272568 -0.929353368 -0.929356351 0.000002983 +2: 1 1.600 0.034579382 -0.908100586 -0.908099070 -0.000001516 +2: 1 1.800 0.031761587 -0.884442948 -0.884442165 -0.000000783 +3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000014 +2: 1 2.000 0.028883127 -0.858808538 -0.858809378 0.000000840 +2: 1 2.200 0.026004187 -0.831341143 -0.831341118 -0.000000025 +2: 1 2.400 0.023179251 -0.802320622 -0.802320398 -0.000000223 +2: 1 2.600 0.020455616 -0.772056571 -0.772056926 0.000000355 +2: 1 2.800 0.017872394 -0.740675199 -0.740674876 -0.000000324 +3: 5 6 2 1 -0.626312320 -0.626312328 0.000000008 +2: 1 3.000 0.015460016 -0.708430779 -0.708429556 -0.000001223 +2: 1 3.200 0.013240188 -0.675669578 -0.675674010 0.000004432 +2: 1 3.400 0.011226266 -0.642459702 -0.642454689 -0.000005013 +2: 1 3.600 0.009423960 -0.609091304 -0.609092449 0.000001145 2: 1 3.800 0.007832284 -0.575839731 -0.575841528 0.000001797 -2: 1 4.000 0.006444664 -0.542697531 -0.542696460 -0.000001071 -2: 1 4.200 0.005250115 -0.510078329 -0.510077513 -0.000000816 -2: 1 4.400 0.004234421 -0.478003232 -0.478007539 0.000004307 -2: 1 4.600 0.003381238 -0.446577649 -0.446566567 -0.000011082 -3: 5 6 2 1 -0.626312320 -0.626312331 0.000000010 -2: 1 4.800 0.002673091 -0.416186718 -0.416202732 0.000016014 -2: 1 5.000 0.002092223 -0.386734472 -0.386724843 -0.000009630 +2: 1 4.000 0.006444664 -0.542697531 -0.542696461 -0.000001070 +3: 4 2 9 2 -0.561691010 -0.561691011 0.000000000 +2: 1 4.200 0.005250115 -0.510078329 -0.510077515 -0.000000814 +2: 1 4.400 0.004234421 -0.478003232 -0.478007537 0.000004305 +2: 1 4.600 0.003381238 -0.446577649 -0.446566565 -0.000011084 +2: 1 4.800 0.002673091 -0.416186718 -0.416202730 0.000016012 +2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009631 2: 1 5.200 0.001621280 -0.359258071 -0.359253815 -0.000004256 -2: 1 5.400 0.001243837 -0.329009264 -0.329019033 0.000009768 -2: 1 5.600 0.000944766 -0.268263860 -0.268258608 -0.000005251 +3: 7 3 21 1 -0.491741169 -0.491741165 -0.000000004 +2: 1 5.400 0.001243837 -0.329009264 -0.329019031 0.000009767 +2: 1 5.600 0.000944766 -0.268263860 -0.268258609 -0.000005251 2: 1 5.800 0.000710460 -0.184072378 -0.184073423 0.000001045 2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000603 -3: 4 2 9 2 -0.561691010 -0.561691011 0.000000000 2: 1 6.200 0.000389881 -0.169127143 -0.169125286 -0.000001857 2: 1 6.400 0.000284517 -0.195915387 -0.195917509 0.000002122 -2: 1 6.600 0.000205559 -0.203472102 -0.203471425 -0.000000677 -2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001066 +3: 1 2 0 2 -0.680189858 -0.680189869 0.000000011 +2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000676 +2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001065 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 7.400 0.000050669 -0.173604245 -0.173604993 0.000000748 -3: 7 3 21 1 -0.491741169 -0.491741167 -0.000000002 -2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001106 -2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001310 +2: 1 7.200 0.000072999 -0.181016372 -0.181015279 -0.000001093 +2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000748 +2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001107 +2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001311 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 -0.110555103 0.000002060 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 -3: 1 2 0 2 -0.680189858 -0.680189874 0.000000016 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 -0.047892332 0.000003004 -2: 1 10.000 0.000000176 -0.043050812 -0.043053582 0.000002770 +2: 1 10.000 0.000000176 -0.043050812 -0.043053583 0.000002771 2: 1 10.200 0.000000106 -0.038722914 -0.038725317 0.000002403 -2: 1 10.400 0.000000063 -0.034770816 -0.034772942 0.000002126 -2: 1 10.600 0.000000037 -0.031177334 -0.031179203 0.000001869 -2: 1 10.800 0.000000022 -0.027908137 -0.027909795 0.000001658 -2: 1 11.000 0.000000013 -0.024937534 -0.024938992 0.000001458 -2: 1 11.200 0.000000007 -0.022242269 -0.022243476 0.000001206 -2: 1 11.400 0.000000004 -0.019801203 -0.019802296 0.000001093 -2: 1 11.600 0.000000002 -0.017594752 -0.017595965 0.000001213 -2: 1 11.800 0.000000001 -0.015604553 -0.015605289 0.000000736 +2: 1 10.400 0.000000063 -0.034770816 -0.034772944 0.000002128 +2: 1 10.600 0.000000037 -0.031177334 -0.031179201 0.000001867 +2: 1 10.800 0.000000022 -0.027908137 -0.027909800 0.000001663 +2: 1 11.000 0.000000013 -0.024937534 -0.024938993 0.000001460 +2: 1 11.200 0.000000007 -0.022242269 -0.022243515 0.000001245 +2: 1 11.400 0.000000004 -0.019801203 -0.019802362 0.000001158 +2: 1 11.600 0.000000002 -0.017594752 -0.017596006 0.000001255 +2: 1 11.800 0.000000001 -0.015604553 -0.015605211 0.000000658 2: iSpin r dens Vxc dExc/dDens diff 2: 2 0.000 0.031746818 -0.915508806 -2: 2 0.200 0.031588480 -0.915751674 -0.916586978 0.000835304 -2: 2 0.400 0.031118189 -0.916480278 -0.916182891 -0.000297387 -2: 2 0.600 0.030349878 -0.905234497 -0.905330313 0.000095816 -2: 2 0.800 0.029306007 -0.899618247 -0.899603217 -0.000015030 -2: 2 1.000 0.028016469 -0.884545454 -0.884543793 -0.000001662 -2: 2 1.200 0.026517171 -0.871612702 -0.871611996 -0.000000706 -2: 2 1.400 0.024848378 -0.853952605 -0.853955586 0.000002982 -2: 2 1.600 0.023052921 -0.835057592 -0.835056064 -0.000001528 -2: 2 1.800 0.021174391 -0.813963082 -0.813962296 -0.000000787 -2: 2 2.000 0.019255418 -0.791103995 -0.791104836 0.000000841 -2: 2 2.200 0.017336125 -0.766590785 -0.766590761 -0.000000024 -2: 2 2.400 0.015452834 -0.740674175 -0.740673954 -0.000000221 -2: 2 2.600 0.013637077 -0.713633471 -0.713633831 0.000000360 -2: 2 2.800 0.011914930 -0.685564496 -0.685564172 -0.000000325 -2: 2 3.000 0.010306678 -0.656691901 -0.656690675 -0.000001225 -2: 2 3.200 0.008826792 -0.627334141 -0.627338572 0.000004431 -2: 2 3.400 0.007484177 -0.597534542 -0.597529530 -0.000005012 -2: 2 3.600 0.006282640 -0.567562765 -0.567563909 0.000001144 -2: 2 3.800 0.005221523 -0.537678412 -0.537680208 0.000001796 -2: 2 4.000 0.004296443 -0.507860006 -0.507858938 -0.000001069 -2: 2 4.200 0.003500077 -0.478500307 -0.478499493 -0.000000814 -2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004307 -2: 2 4.600 0.002254159 -0.421308745 -0.421297662 -0.000011082 +2: 2 0.200 0.031588480 -0.915751674 -0.916586399 0.000834725 +2: 2 0.400 0.031118189 -0.916480278 -0.916182756 -0.000297522 +2: 2 0.600 0.030349878 -0.905234497 -0.905330300 0.000095803 +2: 2 0.800 0.029306007 -0.899618247 -0.899603218 -0.000015029 +2: 2 1.000 0.028016469 -0.884545454 -0.884543791 -0.000001663 +2: 2 1.200 0.026517171 -0.871612702 -0.871611997 -0.000000705 +2: 2 1.400 0.024848378 -0.853952605 -0.853955589 0.000002984 +2: 2 1.600 0.023052921 -0.835057592 -0.835056067 -0.000001525 +2: 2 1.800 0.021174391 -0.813963082 -0.813962299 -0.000000783 +2: 2 2.000 0.019255418 -0.791103995 -0.791104827 0.000000832 +2: 2 2.200 0.017336125 -0.766590785 -0.766590759 -0.000000026 +2: 2 2.400 0.015452834 -0.740674175 -0.740673952 -0.000000223 +2: 2 2.600 0.013637077 -0.713633471 -0.713633822 0.000000351 +2: 2 2.800 0.011914930 -0.685564496 -0.685564177 -0.000000319 +2: 2 3.000 0.010306678 -0.656691901 -0.656690679 -0.000001221 +2: 2 3.200 0.008826792 -0.627334141 -0.627338573 0.000004432 +2: 2 3.400 0.007484177 -0.597534542 -0.597529529 -0.000005014 +2: 2 3.600 0.006282640 -0.567562765 -0.567563906 0.000001141 +2: 2 3.800 0.005221523 -0.537678412 -0.537680205 0.000001793 +2: 2 4.000 0.004296443 -0.507860006 -0.507858937 -0.000001070 +2: 2 4.200 0.003500077 -0.478500307 -0.478499494 -0.000000814 +2: 2 4.400 0.002822947 -0.449602251 -0.449606559 0.000004309 +2: 2 4.600 0.002254159 -0.421308745 -0.421297660 -0.000011084 2: 2 4.800 0.001782061 -0.394081537 -0.394097551 0.000016013 2: 2 5.000 0.001394815 -0.368503162 -0.368493533 -0.000009629 -2: 2 5.200 0.001080853 -0.338654863 -0.338650608 -0.000004255 -2: 2 5.400 0.000829225 -0.277895720 -0.277905488 0.000009769 -2: 2 5.600 0.000629844 -0.196381546 -0.196376296 -0.000005250 +2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004257 +2: 2 5.400 0.000829225 -0.277895720 -0.277905487 0.000009768 +2: 2 5.600 0.000629844 -0.196381546 -0.196376297 -0.000005249 2: 2 5.800 0.000473640 -0.161618667 -0.161619715 0.000001048 -2: 2 6.000 0.000352629 -0.182070066 -0.182070670 0.000000603 -2: 2 6.200 0.000259921 -0.206718897 -0.206717039 -0.000001858 -2: 2 6.400 0.000189678 -0.212964826 -0.212966945 0.000002119 +2: 2 6.000 0.000352629 -0.182070066 -0.182070669 0.000000603 +2: 2 6.200 0.000259921 -0.206718897 -0.206717039 -0.000001859 +2: 2 6.400 0.000189678 -0.212964826 -0.212966945 0.000002118 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 0.000001508 +2: 2 7.000 0.000069415 -0.184792808 -0.184794316 0.000001508 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 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001101 2: 2 7.800 0.000015792 -0.151793526 -0.151794847 0.000001322 2: 2 8.000 0.000010636 -0.138751509 -0.138752581 0.000001072 2: 2 8.200 0.000007092 -0.123406831 -0.123402998 -0.000003833 @@ -9587,21 +9623,21 @@ 2: 2 8.600 0.000003059 -0.093844217 -0.093845341 0.000001124 2: 2 8.800 0.000001979 -0.082118108 -0.082117784 -0.000000324 2: 2 9.000 0.000001268 -0.072533230 -0.072536399 0.000003169 -2: 2 9.200 0.000000804 -0.064613896 -0.064617441 0.000003544 +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 9.800 0.000000193 -0.046631823 -0.046634644 0.000002821 -2: 2 10.000 0.000000117 -0.041859516 -0.041862070 0.000002554 +2: 2 9.600 0.000000313 -0.051913010 -0.051915902 0.000002892 +2: 2 9.800 0.000000193 -0.046631823 -0.046634643 0.000002820 +2: 2 10.000 0.000000117 -0.041859516 -0.041862069 0.000002552 2: 2 10.200 0.000000071 -0.037586671 -0.037588902 0.000002231 -2: 2 10.400 0.000000042 -0.033684342 -0.033686310 0.000001969 -2: 2 10.600 0.000000025 -0.030139120 -0.030140865 0.000001745 -2: 2 10.800 0.000000015 -0.026918806 -0.026920321 0.000001516 -2: 2 11.000 0.000000008 -0.023998661 -0.023999990 0.000001329 -2: 2 11.200 0.000000005 -0.021355613 -0.021356865 0.000001253 -2: 2 11.400 0.000000003 -0.018968230 -0.018969168 0.000000938 -2: 2 11.600 0.000000002 -0.016816386 -0.016817161 0.000000775 -2: avgDiffVxc, maxDiffVxc = 0.000088790 0.000835304 -7/9 Test #2: libgridxc_test2 .................. Passed 6.34 sec +2: 2 10.400 0.000000042 -0.033684342 -0.033686314 0.000001972 +2: 2 10.600 0.000000025 -0.030139120 -0.030140862 0.000001742 +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 -0.021356851 0.000001238 +2: 2 11.400 0.000000003 -0.018968230 -0.018969178 0.000000948 +2: 2 11.600 0.000000002 -0.016816386 -0.016817093 0.000000707 +2: avgDiffVxc, maxDiffVxc = 0.000088754 0.000834865 +7/9 Test #2: libgridxc_test2 .................. Passed 11.86 sec 4: 4: funcs= VDW 4: auths= BH @@ -9611,8 +9647,8 @@ 4: atomEc, cellEc, diff = -0.679499275 -0.679753307 0.000254032 4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 -4: avgDiffVxc, maxDiffVxc = 0.000006163 0.038047291 -8/9 Test #4: libgridxc_test4 .................. Passed 7.52 sec +4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291 +8/9 Test #4: libgridxc_test4 .................. Passed 13.55 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9625,11 +9661,11 @@ 3: 0.000022309 -0.000006705 0.000059142 3: -0.000006705 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 -9/9 Test #3: libgridxc_test3 .................. Passed 9.99 sec +9/9 Test #3: libgridxc_test3 .................. Passed 24.38 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 9.99 sec +Total Test time (real) = 24.39 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -9637,7 +9673,7 @@ dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j22 install DESTDIR=/build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-i686-linux-gnu && make -j10 install DESTDIR=/build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.0.1 -B/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -9654,52 +9690,53 @@ [ 64%] Built target libgridxc-lib make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/depend make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/depend +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" 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[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-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 -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.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-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.0.1 /build/reproducible-path/libgridxc-2.0.1/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-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[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-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-2.0.1/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build +[ 68%] Built target libgridxc-test1 make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' @@ -9712,26 +9749,25 @@ make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' +[ 72%] Built target libgridxc-test2 make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_hse06.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' -[ 72%] Built target libgridxc-test2 -[ 72%] Built target libgridxc-test1 -[ 76%] Built target libgridxc-test3 +[ 76%] Built target libgridxc-test6 [ 80%] Built target libgridxc-test4 -[ 84%] Built target libgridxc-test6 +[ 84%] Built target libgridxc-test3 [ 88%] Built target libgridxc-test_libxc -[ 92%] Built target libgridxc-test_match -[ 96%] Built target libgridxc-test_libxc2 +[ 92%] Built target libgridxc-test_libxc2 +[ 96%] Built target libgridxc-test_match [100%] Built target libgridxc-test_hse06 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu/CMakeFiles 0 @@ -9749,40 +9785,40 @@ -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0 --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_cell.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_interpolation.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_array.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_walltime.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gga.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_alloc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_am05.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_mesh1d.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_mesh3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_bessph.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_config.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_fftr.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_sys.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_radfft.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_hybrids.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_sorting.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_radfft.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_array.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_io.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_walltime.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_debugxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_vv_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_interpolation.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gpfa_core_dp.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gpfa_core_sp.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_cell.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_xwpbe.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_bessph.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_hybrids.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gga.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_atom.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_precision.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_fft_gpfa.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_moreparallelsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_mesh3d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_fftr.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_config.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_xcmod.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_sys.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_cellsubs.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_xcmod.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_minvec.mod +-- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_moreparallelsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_chkgmx.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_lda.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_alloc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gpfa_core_dp.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_fft3d.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_minvec.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_precision.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_vv_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_io.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_atom.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_gpfa_core_sp.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_am05.mod --- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/include/libgridxc/GNU-13.2.0/gridxc_mesh1d.mod -- Installing: /build/reproducible-path/libgridxc-2.0.1/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.0.1/obj-i686-linux-gnu' dh_installdocs -O--buildsystem=cmake @@ -9812,12 +9848,14 @@ 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/41647/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/41647/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/67145 and its subdirectories -I: Current time: Sun Jun 15 07:22:11 -12 2025 -I: pbuilder-time-stamp: 1750015331 +I: removing directory /srv/workspace/pbuilder/41647 and its subdirectories +I: Current time: Tue May 14 03:01:43 +14 2024 +I: pbuilder-time-stamp: 1715605303