Diff of the two buildlogs: -- --- b1/build.log 2025-04-01 08:38:28.003362998 +0000 +++ b2/build.log 2025-04-01 08:39:34.212399423 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Mon Mar 31 20:36:39 -12 2025 -I: pbuilder-time-stamp: 1743496599 +I: Current time: Tue May 5 05:01:29 +14 2026 +I: pbuilder-time-stamp: 1777906889 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -25,54 +25,86 @@ dpkg-source: info: applying fix_fortran_flags.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/29650/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/39242/tmp/hooks/D01_modify_environment starting +debug: Running on ionos16-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 4 15:01 /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/39242/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/39242/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=11 ' - 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]="37" [3]="1" [4]="release" [5]="i686-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=i386 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=21 ' + 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='87d0800fb8ed4bb9ad87f2df733da10f' - 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='29650' - PS1='# ' - PS2='> ' + INVOCATION_ID=b52eac420f6b419d89f2f8ab53cd78f4 + 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=39242 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.QkwNF2S8/pbuilderrc_VA8K --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.QkwNF2S8/b1 --logfile b1/build.log libgridxc_2.1.0-2.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://46.16.76.132:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.QkwNF2S8/pbuilderrc_vRgk --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.QkwNF2S8/b2 --logfile b2/build.log libgridxc_2.1.0-2.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://213.165.73.152:3128 I: uname -a - Linux ionos12-i386 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/29650/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/39242/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -187,7 +219,7 @@ Get: 69 http://deb.debian.org/debian unstable/main i386 pkgconf-bin i386 1.8.1-4 [30.6 kB] Get: 70 http://deb.debian.org/debian unstable/main i386 pkgconf i386 1.8.1-4 [26.2 kB] Get: 71 http://deb.debian.org/debian unstable/main i386 pkg-config i386 1.8.1-4 [14.0 kB] -Fetched 54.9 MB in 1s (60.3 MB/s) +Fetched 54.9 MB in 2s (27.8 MB/s) Preconfiguring packages ... 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 ... 19790 files and directories currently installed.) @@ -493,7 +525,11 @@ fakeroot is already the newest version (1.37.1.1-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/libgridxc-2.1.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../libgridxc_2.1.0-2_source.changes +I: user script /srv/workspace/pbuilder/39242/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/39242/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/libgridxc-2.1.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../libgridxc_2.1.0-2_source.changes dpkg-buildpackage: info: source package libgridxc dpkg-buildpackage: info: source version 2.1.0-2 dpkg-buildpackage: info: source distribution unstable @@ -551,8 +587,8 @@ -- Using pkg-config to search for libxcf03 - found -- Searching for libXC library - found -- Configuring libgridxc tests... --- Configuring done (0.7s) --- Generating done (0.1s) +-- Configuring done (0.4s) +-- Generating done (0.0s) CMake Warning: Manually-specified variables were not used by the project: @@ -564,7 +600,7 @@ -- Build files have been written to: /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0' dh_auto_build -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j11 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-i686-linux-gnu && make -j21 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -579,44 +615,44 @@ make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f CMakeFiles/libgridxc-lib.dir/build.make CMakeFiles/libgridxc-lib.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -[ 1%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -[ 3%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o -[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o -[ 7%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +[ 5%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/sys.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/precision.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o +[ 9%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/precision.F90 -o CMakeFiles/libgridxc-lib.dir/src/precision.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/sys.F90 -o CMakeFiles/libgridxc-lib.dir/src/sys.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/alloc.F90 -o CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 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-I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/interpolation.F90 -o CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o +[ 21%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/array.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/array.F90 -o CMakeFiles/libgridxc-lib.dir/src/array.F90.o +[ 23%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/am05.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/am05.F90 -o CMakeFiles/libgridxc-lib.dir/src/am05.F90.o +[ 25%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o +[ 27%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/m_io.F90 -o CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/sys.F90.o.provides.build +[ 29%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc_fft_gpfa.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/bessph.F90 -o CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_cellsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_cellsubs.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_bessph.mod CMakeFiles/libgridxc-lib.dir/gridxc_bessph.mod.stamp GNU @@ -627,12 +663,12 @@ /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-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/minvec.F90 -o CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_minvec.mod CMakeFiles/libgridxc-lib.dir/gridxc_minvec.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/am05.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_am05.mod CMakeFiles/libgridxc-lib.dir/gridxc_am05.mod.stamp GNU [ 33%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/chkgmx.F90 -o CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o -/usr/bin/cmake -E 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_chkgmx.mod CMakeFiles/libgridxc-lib.dir/gridxc_chkgmx.mod.stamp GNU @@ -646,24 +682,24 @@ /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 cmake_copy_f90_mod include/gridxc_alloc.mod CMakeFiles/libgridxc-lib.dir/gridxc_alloc.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/alloc.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-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/xc_hybrids.F90 -o CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_hybrids.mod CMakeFiles/libgridxc-lib.dir/gridxc_hybrids.mod.stamp GNU +/usr/bin/cmake -E 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-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_alloc.mod CMakeFiles/libgridxc-lib.dir/gridxc_alloc.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o.provides.build [ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o -[ 41%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o +[ 43%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/mesh3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/moreParallelSubs.F90 -o CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_moreparallelsubs.mod CMakeFiles/libgridxc-lib.dir/gridxc_moreparallelsubs.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o.provides.build -[ 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-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/debugxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/debugxc.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 -[ 45%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_debugxc.mod CMakeFiles/libgridxc-lib.dir/gridxc_debugxc.mod.stamp GNU -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/ggaxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gga.mod CMakeFiles/libgridxc-lib.dir/gridxc_gga.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o.provides.build @@ -673,9 +709,9 @@ /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_dp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_dp.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_gpfa_core_sp.mod CMakeFiles/libgridxc-lib.dir/gridxc_gpfa_core_sp.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o.provides.build -[ 47%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o -/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o [ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o +[ 49%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o +/usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/fft3d.F90 -o CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/radfft.F90 -o CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc_radfft.mod CMakeFiles/libgridxc-lib.dir/gridxc_radfft.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o.provides.build @@ -708,9 +744,9 @@ [ 62%] Building Fortran object CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -Jinclude -fPIC -c /build/reproducible-path/libgridxc-2.1.0/src/gridxc.F90 -o CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o /usr/bin/cmake -E cmake_copy_f90_mod include/gridxc.mod CMakeFiles/libgridxc-lib.dir/gridxc.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build [ 64%] Linking Fortran static library libgridxc.a /usr/bin/cmake -P CMakeFiles/libgridxc-lib.dir/cmake_clean_target.cmake -/usr/bin/cmake -E touch CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o.provides.build /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-lib.dir/link.txt --verbose=1 /usr/bin/ar qc libgridxc.a "CMakeFiles/libgridxc-lib.dir/src/alloc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/am05.F90.o" "CMakeFiles/libgridxc-lib.dir/src/array.F90.o" "CMakeFiles/libgridxc-lib.dir/src/atomxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/bessph.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellsubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/cellxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/chkgmx.F90.o" "CMakeFiles/libgridxc-lib.dir/src/debugxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fft3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/fftr.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ggaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_config.F90.o" "CMakeFiles/libgridxc-lib.dir/src/gridxc_fft_gpfa.F90.o" "CMakeFiles/libgridxc-lib.dir/src/interpolation.F90.o" "CMakeFiles/libgridxc-lib.dir/src/ldaxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_io.F90.o" "CMakeFiles/libgridxc-lib.dir/src/m_walltime.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh1d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/mesh3d.F90.o" "CMakeFiles/libgridxc-lib.dir/src/minvec.F90.o" "CMakeFiles/libgridxc-lib.dir/src/moreParallelSubs.F90.o" "CMakeFiles/libgridxc-lib.dir/src/precision.F90.o" "CMakeFiles/libgridxc-lib.dir/src/radfft.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sorting.F90.o" "CMakeFiles/libgridxc-lib.dir/src/sys.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/vv_vdwxc.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_hybrids.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xc_xwpbe.F90.o" "CMakeFiles/libgridxc-lib.dir/src/xcmod.F90.o" /usr/bin/ranlib libgridxc.a @@ -724,124 +760,124 @@ make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/depend -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake "--color=" +make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test1.dir/depend.internal". -Scanning dependencies of target libgridxc-test4 -Scanning dependencies of target libgridxc-test1 +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test3.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test4.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". Scanning dependencies of target libgridxc-test2 -Scanning dependencies of target libgridxc-test_libxc2 -Scanning dependencies of target libgridxc-test3 -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +Scanning dependencies of target libgridxc-test1 Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/depend.internal". +Scanning dependencies of target libgridxc-test6 +Scanning dependencies of target libgridxc-test3 +Scanning dependencies of target libgridxc-test4 +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_match.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/depend.internal". +Scanning dependencies of target libgridxc-test_libxc +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +Scanning dependencies of target libgridxc-test_libxc2 +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -Scanning dependencies of target libgridxc-test_libxc -Scanning dependencies of target libgridxc-test_match -Scanning dependencies of target libgridxc-test6 -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". -Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build +Scanning dependencies of target libgridxc-test_match make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -Scanning dependencies of target libgridxc-test_hse06 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". +Dependee "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/depend.internal". make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -[ 66%] Building Fortran object Testers/CMakeFiles/libgridxc-test1.dir/test1.f90.o -[ 68%] Building Fortran object Testers/CMakeFiles/libgridxc-test2.dir/test2.F90.o +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +Scanning dependencies of target libgridxc-test_hse06 +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +[ 66%] 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-test4.dir/test4.F90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o [ 72%] Building Fortran object Testers/CMakeFiles/libgridxc-test3.dir/test3.F90.o [ 74%] Building Fortran object Testers/CMakeFiles/libgridxc-test6.dir/test6.f90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test2.F90 -o CMakeFiles/libgridxc-test2.dir/test2.F90.o [ 76%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o -[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test1.f90 -o CMakeFiles/libgridxc-test1.dir/test1.f90.o +[ 78%] Building Fortran object Testers/CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test4.F90 -o CMakeFiles/libgridxc-test4.dir/test4.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test6.f90 -o CMakeFiles/libgridxc-test6.dir/test6.f90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test3.F90 -o CMakeFiles/libgridxc-test3.dir/test3.F90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +[ 80%] Building Fortran object Testers/CMakeFiles/libgridxc-test_match.dir/test_match.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc.F90 -o CMakeFiles/libgridxc-test_libxc.dir/test_libxc.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_libxc2.F90 -o CMakeFiles/libgridxc-test_libxc2.dir/test_libxc2.F90.o cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_match.F90 -o CMakeFiles/libgridxc-test_match.dir/test_match.F90.o -[ 84%] Linking Fortran executable libgridxc-test_match -[ 86%] Linking Fortran executable libgridxc-test_hse06 -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 +[ 82%] Building Fortran object Testers/CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/f95 -DHAVE_LIBXC -I/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/include -I/usr/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -fbacktrace -c /build/reproducible-path/libgridxc-2.1.0/Testers/test_hse06.F90 -o CMakeFiles/libgridxc-test_hse06.dir/test_hse06.F90.o +[ 84%] Linking Fortran executable libgridxc-test_hse06 +[ 86%] Linking Fortran executable libgridxc-test_match cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_hse06.dir/link.txt --verbose=1 -[ 88%] Linking Fortran executable libgridxc-test_libxc2 -[ 90%] Linking Fortran executable libgridxc-test_libxc -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_match.dir/link.txt --verbose=1 +[ 88%] Linking Fortran executable libgridxc-test_libxc cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc.dir/link.txt --verbose=1 +[ 90%] Linking Fortran executable libgridxc-test_libxc2 +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgridxc-test_libxc2.dir/link.txt --verbose=1 /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_match.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_hse06.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' [ 92%] Linking Fortran executable libgridxc-test2 cd /build/reproducible-path/libgridxc-2.1.0/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 -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' [ 92%] Built target libgridxc-test_match [ 92%] Built target libgridxc-test_hse06 -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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 +[ 92%] Built target libgridxc-test_libxc +[ 92%] Built target libgridxc-test_libxc2 +/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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 make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' [ 94%] Linking Fortran executable libgridxc-test6 -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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 cd /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' -/usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/libgridxc-test_libxc2.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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-2.1.0/obj-i686-linux-gnu' -[ 94%] Built target libgridxc-test_libxc [ 94%] Built target libgridxc-test2 -[ 94%] Built target libgridxc-test_libxc2 [ 96%] Linking Fortran executable libgridxc-test4 cd /build/reproducible-path/libgridxc-2.1.0/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 -Wl,--dependency-file=CMakeFiles/libgridxc-test6.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/libgridxc-2.1.0=. -fstack-protector-strong -fallow-argument-mismatch -g -Ofast -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 @@ -864,10 +900,10 @@ /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' dh_auto_test -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j11 test ARGS\+=--verbose ARGS\+=-j11 + cd obj-i686-linux-gnu && make -j21 test ARGS\+=--verbose ARGS\+=-j21 make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j11 +/usr/bin/ctest --force-new-ctest-process --verbose -j21 UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu @@ -1762,10 +1798,43 @@ 6: 1 1.000 0.042024703 -0.964863927 -0.964863928 0.000000000 6: 1 1.200 0.039775757 -0.948686877 -0.948686873 -0.000000004 6: 1 1.400 0.037272568 -0.930171029 -0.930171030 0.000000001 +6: 1 1.600 0.034579382 -0.909220984 -0.909220988 0.000000004 +6: 1 1.800 0.031761587 -0.886131875 -0.886131868 -0.000000006 +6: 1 2.000 0.028883127 -0.861091739 -0.861091735 -0.000000004 +6: 1 2.200 0.026004187 -0.834328425 -0.834328428 0.000000003 +6: 1 2.400 0.023179251 -0.806073217 -0.806073217 -0.000000001 +6: 1 2.600 0.020455616 -0.776561113 -0.776561113 -0.000000000 +6: 1 2.800 0.017872394 -0.746026275 -0.746026277 0.000000002 +6: 1 3.000 0.015460016 -0.714697437 -0.714697439 0.000000002 +6: 1 3.200 0.013240188 -0.682792452 -0.682792450 -0.000000002 +6: 1 3.400 0.011226266 -0.650510776 -0.650510774 -0.000000002 +6: 1 3.600 0.009423960 -0.618021733 -0.618021731 -0.000000002 +6: 1 3.800 0.007832284 -0.585445444 -0.585445442 -0.000000002 +6: 1 4.000 0.006444664 -0.552823710 -0.552823710 -0.000000000 +6: 1 4.200 0.005250115 -0.520082870 -0.520082869 -0.000000000 +6: 1 4.400 0.004234421 -0.487004137 -0.487004137 -0.000000000 +6: 1 4.600 0.003381238 -0.453240679 -0.453240678 -0.000000000 +6: 1 4.800 0.002673091 -0.418441530 -0.418441529 -0.000000001 +6: 1 5.000 0.002092223 -0.382520889 -0.382520888 -0.000000001 +6: 1 5.200 0.001621280 -0.346003183 -0.346003182 -0.000000000 +6: 1 5.400 0.001243837 -0.310216436 -0.310216435 -0.000000001 7: dr, rMax = 0.200000 20.000000 7: iSpin r dens Vxc dExc/dDens diff 7: 1 0.000 0.047620227 -0.980238765 7: 1 0.200 0.047382720 -0.982776277 -0.982776147 -0.000000130 +7: 1 0.400 0.046677283 -0.990388812 -0.990388699 -0.000000114 +7: 1 0.600 0.045524817 -0.975266071 -0.975266062 -0.000000010 +7: 1 0.800 0.043959010 -0.975102121 -0.975102122 0.000000001 +7: 1 1.000 0.042024703 -0.956001234 -0.956001243 0.000000009 +7: 1 1.200 0.039775757 -0.943081485 -0.943081482 -0.000000003 +7: 1 1.400 0.037272568 -0.921422546 -0.921422541 -0.000000005 +7: 1 1.600 0.034579382 -0.899005838 -0.899005840 0.000000002 +7: 1 1.800 0.031761587 -0.874045663 -0.874045670 0.000000007 +7: 1 2.000 0.028883127 -0.847548881 -0.847548882 0.000000002 +7: 1 2.200 0.026004187 -0.819424112 -0.819424111 -0.000000000 +7: 1 2.400 0.023179251 -0.789580695 -0.789580695 -0.000000000 +7: 1 2.600 0.020455616 -0.758088403 -0.758088403 -0.000000000 +7: 1 2.800 0.017872394 -0.725194479 -0.725194477 -0.000000002 8: Ex, Ec: -4.3915197423832808 -0.63516421031255155 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 @@ -1824,6 +1893,18 @@ 8: -0.71817 -0.69034 -0.66163 -0.63222 -0.60226 -0.57188 8: -0.54118 -0.51023 -0.47903 -0.44749 -0.41547 -0.38286 8: -0.34979 -0.31687 -0.28531 -0.25662 -0.23208 -0.21218 +8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 +8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 +8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 +8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 +8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 +8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 +8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00030 -0.00024 +8: -0.00019 -0.00014 -0.00011 -0.00009 -0.00007 -0.00005 +8: 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 +8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +8: 0.00000 0.00000 0.00000 0.00000 1: GGA LYP 0 4 Ex -0.000926053 -0.294374277 0.293448224 2 1: GGA LYP 0 4 Ec -0.008101132 -0.363717682 0.355616550 2 1: GGA WC 0 1 Ex -0.379710224 -0.372866860 0.006843364 2 @@ -1948,45 +2029,6 @@ 1: GGA C09 0 2 Ex -0.368078652 -0.381736597 0.013657945 2 1: GGA C09 0 3 Ex 0.025940394 -0.042756898 0.068697292 2 1: GGA C09 0 4 Ex -0.009993536 -0.128542677 0.118549141 2 -8: -0.19643 -0.18367 -0.17254 -0.16192 -0.15111 -0.13986 -8: -0.12823 -0.11643 -0.10476 -0.09348 -0.08279 -0.07283 -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 #9: libgridxc_test_hse06 ............. Passed 0.01 sec 1: GGA BH 0 1 Ex -0.297468056 -0.278298767 0.019169290 2 1: GGA BH 0 2 Ex -0.452399525 -0.471568815 0.019169290 2 1: GGA BH 0 3 Ex 0.045948575 -0.037981073 0.083929648 2 @@ -2034,18 +2076,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex -0.067645180 -0.074010988 0.006365808 2 1: GGA PBEJsJrHEG 0 4 Ex -0.059802621 -0.059582057 0.000220565 2 1: GGA PBEGcGxLO 0 1 Ex -0.561154660 -0.533716798 0.027437862 2 -8: -0.06369 -0.05540 -0.04795 -0.04132 -0.03545 -0.03030 -8: -0.02580 -0.02188 -0.01849 -0.01557 -0.01307 -0.01093 -8: -0.00911 -0.00756 -0.00626 -0.00516 -0.00424 -0.00347 -8: -0.00283 -0.00231 -0.00187 -0.00151 -0.00121 -0.00097 -8: -0.00078 -0.00062 -0.00049 -0.00039 -0.00030 -0.00024 -8: -0.00019 -0.00014 -0.00011 -0.00009 -0.00007 -0.00005 -8: 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -8: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -8: 0.00000 0.00000 0.00000 0.00000 -6: 1 1.600 0.034579382 -0.909220984 -0.909220988 0.000000004 -6: 1 1.800 0.031761587 -0.886131875 -0.886131868 -0.000000006 1: GGA PBEGcGxLO 0 2 Ex -0.515670088 -0.543107951 0.027437862 2 1: GGA PBEGcGxLO 0 3 Ex -0.047397340 -0.060891032 0.013493692 2 1: GGA PBEGcGxLO 0 4 Ex -0.041902249 -0.041530780 0.000371469 2 @@ -2068,9 +2098,7 @@ 1: GGA PW86 0 2 Ex -0.502260556 -0.594706648 0.092446091 2 1: GGA PW86 0 3 Ex -0.042253063 -0.077161102 0.034908040 2 1: GGA PW86 0 4 Ex -0.037354382 -0.048043242 0.010688859 2 -7: 1 0.400 0.046677283 -0.990388812 -0.990388699 -0.000000114 1: GGA B88 0 1 Ex -0.423452670 -0.173289281 0.250163389 2 -6: 1 2.000 0.028883127 -0.861091739 -0.861091735 -0.000000004 1: GGA B88 0 2 Ex -0.402829329 -0.652992719 0.250163390 2 1: GGA B88 0 3 Ex -0.021490617 -0.109633341 0.088142724 2 1: GGA B88 0 4 Ex -0.018999066 -0.055072470 0.036073404 2 @@ -2089,7 +2117,6 @@ 1: 3 0.080267019 -4.285782017 2.478071852 0.968213065 1: 4 -0.220607002 -2.459939619 2.372646903 -0.165894043 1: GGA PW91 0 1 Ex -1.654683059 -1.697016354 0.042333295 2 -2/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec 1: GGA PW91 0 2 Ex -1.180796101 -1.138462806 0.042333295 2 1: GGA PW91 0 3 Ex 0.084088737 0.021556391 0.062532346 2 1: GGA PW91 0 4 Ex -0.231110667 -0.210461113 0.020649554 2 @@ -2109,7 +2136,6 @@ 1: GGA LYP 0 1 Ec -0.564947865 -0.588618818 0.023670952 2 1: GGA LYP 0 2 Ex -1.020074362 -1.006572704 0.013501657 2 1: GGA LYP 0 2 Ec -0.176178491 -0.152507539 0.023670952 2 -6: 1 2.200 0.026004187 -0.834328425 -0.834328428 0.000000003 1: GGA LYP 0 3 Ex -0.039443053 0.083044818 0.122487871 2 1: GGA LYP 0 3 Ec 0.068985072 0.030846965 0.038138106 2 1: GGA LYP 0 4 Ex 0.108405842 0.166815003 0.058409161 2 @@ -2134,7 +2160,6 @@ 1: GGA PBEGcGxHEG 0 2 Ex -1.083891466 -1.066194794 0.017696672 2 1: GGA PBEGcGxHEG 0 3 Ex -0.013397487 0.002584193 0.015981680 2 1: GGA PBEGcGxHEG 0 4 Ex 0.036821841 0.060780018 0.023958177 2 -6: 1 2.400 0.023179251 -0.806073217 -0.806073217 -0.000000001 1: GGA PBESOL 0 1 Ex -1.060366679 -1.079028238 0.018661558 2 1: GGA PBESOL 0 2 Ex -1.081505765 -1.062844207 0.018661558 2 1: GGA PBESOL 0 3 Ex -0.003751019 0.020412370 0.024163389 2 @@ -2149,6 +2174,49 @@ 1: GGA AM05 0 4 Ec -0.017491910 -0.018291608 0.000799698 2 1: GGA PW86 0 1 Ex -0.989532597 -1.017193018 0.027660421 2 1: GGA PW86 0 2 Ex -1.050568422 -1.022908001 0.027660421 2 +6: 1 5.600 0.000944766 -0.277074102 -0.277074102 -0.000000001 +6: 1 5.800 0.000710460 -0.248426892 -0.248426893 0.000000001 +6: 1 6.000 0.000528944 -0.225324029 -0.225324030 0.000000001 +7: 1 3.000 0.015460016 -0.691188323 -0.691188322 -0.000000001 +7: 1 3.200 0.013240188 -0.656330566 -0.656330565 -0.000000000 +9: Built-in Ex, Ec, sum: -4.35557595 -0.64530376 -5.00087971 +9: -0.96381 -0.96241 -0.95818 -0.95085 -0.94096 -0.92821 +9: -0.91301 -0.89533 -0.87543 -0.85345 -0.82960 -0.80409 +9: -0.77712 -0.74892 -0.71968 -0.68963 -0.65894 -0.62781 +9: -0.59638 -0.56477 -0.53302 -0.50110 -0.46885 -0.43600 +9: -0.40231 -0.36779 -0.33297 -0.29914 -0.26803 -0.24125 +9: -0.21962 -0.20283 -0.18970 -0.17872 -0.16848 -0.15809 +9: -0.14712 -0.13555 -0.12361 -0.11161 -0.09987 -0.08863 +9: -0.07810 -0.06838 -0.05953 -0.05157 -0.04446 -0.03816 +9: -0.03262 -0.02778 -0.02356 -0.01992 -0.01677 -0.01408 +9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 +9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 +9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: -0.00036 -0.00036 -0.00036 -0.00036 -0.00036 +9: libxc Ex, Ec, sum: -2.09822342 -2.09822342 -4.19644685 +9: -0.77367 -0.77146 -0.76482 -0.76250 -0.75239 -0.74512 +9: -0.73278 -0.72042 -0.70583 -0.69001 -0.67289 -0.65467 +9: -0.63545 -0.61533 -0.59429 -0.57225 -0.54897 -0.52411 +9: -0.49730 -0.46848 -0.43849 -0.40992 -0.38698 -0.37290 +9: -0.36315 -0.34398 -0.30778 -0.26529 -0.23213 -0.21168 +9: -0.19843 -0.18753 -0.17708 -0.16672 -0.15639 -0.14595 +9: -0.13516 -0.12347 -0.11059 -0.10133 -0.09618 -0.08875 +9: -0.07873 -0.06891 -0.05991 -0.05182 -0.04462 -0.03827 +9: -0.03269 -0.02782 -0.02359 -0.01993 -0.01678 -0.01408 +9: -0.01177 -0.00981 -0.00815 -0.00674 -0.00556 -0.00457 +9: -0.00374 -0.00305 -0.00248 -0.00201 -0.00162 -0.00131 +9: -0.00105 -0.00084 -0.00067 -0.00053 -0.00042 -0.00033 +9: -0.00026 -0.00020 -0.00016 -0.00012 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 +9: 0.00000 0.00000 0.00000 0.00000 0.00000 +1/9 Test #8: libgridxc_test_match ............. Passed 0.01 sec +2/9 Test #9: libgridxc_test_hse06 ............. 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2 1: GGA AM05 0 4 Ec 0.007332755 0.007335290 0.000002536 2 1: GGA PW86 0 1 Ex -0.126644219 -0.131111124 0.004466905 2 @@ -3860,7 +4013,6 @@ 1: 3 0.254685596 -8.389652192 12.334818078 -12.234254888 1: 4 -0.031342669 5.479311330 -4.234985649 3.860310768 1: GGA PW91 0 1 Ex -1.499382083 -1.495501840 0.003880243 2 -6: 2 0.400 0.031118189 -0.916129853 -0.916129988 0.000000134 1: GGA PW91 0 2 Ex -2.428890976 -2.432771220 0.003880244 2 1: GGA PW91 0 3 Ex 0.158319492 0.151900128 0.006419364 2 1: GGA PW91 0 4 Ex -0.019483455 0.020912348 0.040395803 2 @@ -3870,7 +4022,6 @@ 1: GGA PBE 0 4 Ex -0.002898162 0.124795252 0.127693414 2 1: GGA RPBE 0 1 Ex -1.437173851 -1.354665049 0.082508802 2 1: GGA RPBE 0 2 Ex -1.753233715 -1.835742518 0.082508802 2 -7: 1 5.800 0.000710460 -0.244007114 -0.244007114 -0.000000001 1: GGA RPBE 0 3 Ex 0.053833199 -0.171394476 0.225227675 2 1: GGA RPBE 0 4 Ex -0.006624937 0.131358875 0.137983812 2 1: GGA revPBE 0 1 Ex -1.446912508 -1.354906593 0.092005916 2 @@ -3890,7 +4041,6 @@ 1: GGA WC 0 3 Ex 0.013952312 -0.149807373 0.163759685 2 1: GGA WC 0 4 Ex -0.001717030 0.095520243 0.097237273 2 1: GGA PBEJsJrLO 0 1 Ex -1.484036631 -1.422196998 0.061839634 2 -6: 2 0.600 0.030349878 -0.908537498 -0.908537457 -0.000000041 1: GGA PBEJsJrLO 0 2 Ex -1.541046250 -1.602885884 0.061839634 2 1: GGA PBEJsJrLO 0 3 Ex 0.009710218 -0.159569342 0.169279560 2 1: GGA PBEJsJrLO 0 4 Ex -0.001194980 0.098376219 0.099571198 2 @@ -3903,7 +4053,6 @@ 1: GGA PBEGcGxLO 0 3 Ex 0.001137256 -0.148763136 0.149900392 2 1: GGA PBEGcGxLO 0 4 Ex -0.000139955 0.086845602 0.086985557 2 1: GGA PBEGcGxHEG 0 1 Ex -1.501355234 -1.454084139 0.047271094 2 -7: 1 6.000 0.000528944 -0.223883655 -0.223883656 0.000000001 1: GGA PBEGcGxHEG 0 2 Ex -1.389074993 -1.436346087 0.047271095 2 1: GGA PBEGcGxHEG 0 3 Ex -0.019124240 -0.148444454 0.129320214 2 1: GGA PBEGcGxHEG 0 4 Ex 0.002353508 0.079113038 0.076759529 2 @@ -3917,7 +4066,6 @@ 1: GGA AM05 0 2 Ec -0.114982083 -0.112879735 0.002102348 2 1: GGA AM05 0 3 Ex -0.102777048 -0.320051849 0.217274801 2 1: GGA AM05 0 3 Ec 0.008662045 0.014401762 0.005739718 2 -6: 2 0.800 0.029306007 -0.899875935 -0.899875941 0.000000007 1: GGA AM05 0 4 Ex 0.012648171 0.112941964 0.100293793 2 1: GGA AM05 0 4 Ec -0.001065987 -0.004574942 0.003508955 2 1: GGA PW86 0 1 Ex -1.409702583 -1.282375940 0.127326643 2 @@ -3936,7 +4084,6 @@ 1: GGA BH 0 2 Ex -1.412316208 -1.486362336 0.074046128 2 1: GGA BH 0 3 Ex -0.014241264 -0.218447803 0.204206539 2 1: GGA BH 0 4 Ex 0.001752589 0.108683913 0.106931324 2 -7: 1 6.200 0.000389881 -0.206110012 -0.206110014 0.000000001 1: 1: iSpin dens gradDens 1: 1 0.117710520 -0.707875790 -0.813204032 -0.583889380 @@ -3950,7 +4097,6 @@ 1: GGA PBE 0 1 Ex -0.773464379 -0.928696882 0.155232502 2 1: GGA PBE 0 2 Ex -0.753821608 -0.598589105 0.155232502 2 1: GGA PBE 0 3 Ex -0.006824604 1.159123202 1.165947805 2 -6: 2 1.000 0.028016469 -0.887406482 -0.887406491 0.000000008 1: GGA PBE 0 4 Ex -0.010220508 -0.639595658 0.629375151 2 1: GGA RPBE 0 1 Ex -0.889908722 -1.062143798 0.172235076 2 1: GGA RPBE 0 2 Ex -0.856747713 -0.684512637 0.172235076 2 @@ -3975,13 +4121,11 @@ 1: GGA PBEJsJrLO 0 1 Ex -0.705280805 -0.879401638 0.174120834 2 1: GGA PBEJsJrLO 0 2 Ex -0.686890668 -0.512769835 0.174120834 2 1: GGA PBEJsJrLO 0 3 Ex -0.006389393 1.315774756 1.322164150 2 -7: 1 6.400 0.000284517 -0.190918393 -0.190918393 -0.000000001 1: GGA PBEJsJrLO 0 4 Ex -0.009568738 -0.725104487 0.715535749 2 1: GGA PBEJsJrHEG 0 1 Ex -0.722092984 -0.828498452 0.106405468 2 1: GGA PBEJsJrHEG 0 2 Ex -0.706431283 -0.600025815 0.106405468 2 1: GGA PBEJsJrHEG 0 3 Ex -0.005441437 0.793679931 0.799121368 2 1: GGA PBEJsJrHEG 0 4 Ex -0.008149081 -0.439501192 0.431352111 2 -6: 2 1.200 0.026517171 -0.873372400 -0.873372397 -0.000000003 1: GGA PBEGcGxLO 0 1 Ex -0.670139847 -0.850479156 0.180339309 2 1: GGA PBEGcGxLO 0 2 Ex -0.652937124 -0.472597815 0.180339309 2 1: GGA PBEGcGxLO 0 3 Ex -0.005976844 1.372657903 1.378634746 2 @@ -4006,11 +4150,9 @@ 1: GGA PW86 0 2 Ex -0.700992565 -0.499877820 0.201114745 2 1: GGA PW86 0 3 Ex -0.004542228 1.578711350 1.583253578 2 1: GGA PW86 0 4 Ex -0.006802428 -0.870737294 0.863934867 2 -7: 1 6.600 0.000205559 -0.178797194 -0.178797196 0.000000002 1: GGA B88 0 1 Ex -0.553807014 -0.924486435 0.370679421 2 1: GGA B88 0 2 Ex -0.545330891 -0.174651469 0.370679422 2 1: GGA B88 0 3 Ex -0.002944909 2.970623917 2.973568826 2 -6: 2 1.400 0.024848378 -0.856614633 -0.856614623 -0.000000010 1: GGA B88 0 4 Ex -0.004410288 -1.633766099 1.629355811 2 1: GGA C09 0 1 Ex -0.475290793 -0.848719070 0.373428277 2 1: GGA C09 0 2 Ex -0.462219939 -0.088791662 0.373428277 2 @@ -4041,8 +4183,6 @@ 1: GGA revPBE 0 1 Ex -1.049267032 -0.570067241 0.479199791 2 1: GGA revPBE 0 2 Ex -1.014554324 -1.493754115 0.479199791 2 1: GGA revPBE 0 3 Ex 0.119546477 0.277963948 0.158417471 2 -6: 2 1.600 0.023052921 -0.837890983 -0.837890982 -0.000000002 -7: 1 6.800 0.000147033 -0.170379794 -0.170379798 0.000000004 1: GGA revPBE 0 4 Ex 0.050162351 -0.161571924 0.211734275 2 1: GGA LYP 0 1 Ex -1.023783975 -0.570234702 0.453549273 2 1: GGA LYP 0 1 Ec -0.049554392 0.024962254 0.074516647 2 @@ -4070,12 +4210,10 @@ 1: GGA PBEGcGxLO 0 4 Ex 0.066779491 -0.056682277 0.123461768 2 1: GGA PBEGcGxHEG 0 1 Ex -1.102099281 -0.861167024 0.240932257 2 1: GGA PBEGcGxHEG 0 2 Ex -1.061631856 -1.302564112 0.240932256 2 -6: 2 1.800 0.021174391 -0.817154056 -0.817154055 -0.000000001 1: GGA PBEGcGxHEG 0 3 Ex 0.139365043 0.220892182 0.081527139 2 1: GGA PBEGcGxHEG 0 4 Ex 0.058478329 -0.052453005 0.110931334 2 1: GGA PBESOL 0 1 Ex -1.071164050 -0.784749691 0.286414359 2 1: GGA PBESOL 0 2 Ex -1.024952161 -1.311366519 0.286414359 2 -7: 1 7.000 0.000104122 -0.165839032 -0.165839041 0.000000008 1: GGA PBESOL 0 3 Ex 0.159148299 0.252536594 0.093388296 2 1: GGA PBESOL 0 4 Ex 0.066779491 -0.056682277 0.123461768 2 1: GGA AM05 0 1 Ex -1.020582450 -0.828556704 0.192025745 2 @@ -4101,7 +4239,6 @@ 1: GGA BH 0 1 Ex -1.022578454 -0.695478927 0.327099528 2 1: GGA BH 0 2 Ex -0.963012690 -1.290112218 0.327099528 2 1: GGA BH 0 3 Ex 0.205137469 0.303374977 0.098237508 2 -6: 2 2.000 0.019255418 -0.794632457 -0.794632456 -0.000000001 1: GGA BH 0 4 Ex 0.086076797 -0.034864357 0.120941154 2 1: 1: iSpin dens gradDens @@ -4113,7 +4250,6 @@ 1: GGA PW91 0 2 Ex -0.940010144 -0.816761043 0.123249101 2 1: GGA PW91 0 3 Ex 0.163400740 0.377750237 0.214349496 2 1: GGA PW91 0 4 Ex -0.074229244 0.439958208 0.514187452 2 -7: 1 7.200 0.000072999 -0.163810071 -0.163810084 0.000000013 1: GGA PBE 0 1 Ex -0.990216224 -1.106954608 0.116738384 2 1: GGA PBE 0 2 Ex -0.943266773 -0.826528389 0.116738384 2 1: GGA PBE 0 3 Ex 0.150421733 0.369028682 0.218606949 2 @@ -4136,7 +4272,6 @@ 1: GGA LYP 0 4 Ec 0.004871388 0.186306258 0.181434870 2 1: GGA WC 0 1 Ex -1.002824928 -1.113158764 0.110333835 2 1: GGA WC 0 2 Ex -0.943452222 -0.833118388 0.110333835 2 -6: 2 2.200 0.017336125 -0.770502247 -0.770502241 -0.000000006 1: GGA WC 0 3 Ex 0.190224700 0.354481574 0.164256874 2 1: GGA WC 0 4 Ex -0.086414759 0.313067042 0.399481801 2 1: GGA PBEJsJrLO 0 1 Ex -0.978319308 -1.085975064 0.107655756 2 @@ -4146,7 +4281,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -1.018492056 -1.098682265 0.080190209 2 1: GGA PBEJsJrHEG 0 2 Ex -0.967889102 -0.887698893 0.080190209 2 1: GGA PBEJsJrHEG 0 3 Ex 0.162127219 0.312471256 0.150344037 2 -7: 1 7.400 0.000050669 -0.160866313 -0.160866326 0.000000012 1: GGA PBEJsJrHEG 0 4 Ex -0.073650712 0.284849439 0.358500151 2 1: GGA PBEGcGxLO 0 1 Ex -0.979198366 -1.079412874 0.100214508 2 1: GGA PBEGcGxLO 0 2 Ex -0.925128787 -0.824914280 0.100214507 2 @@ -4164,7 +4298,6 @@ 1: GGA AM05 0 1 Ec -0.076837352 -0.075651609 0.001185743 2 1: GGA AM05 0 2 Ex -0.901038619 -0.818831690 0.082206929 2 1: GGA AM05 0 2 Ec -0.083412279 -0.084598021 0.001185743 2 -6: 2 2.400 0.015452834 -0.744951774 -0.744951777 0.000000003 1: GGA AM05 0 3 Ex 0.191173550 0.298764448 0.107590898 2 1: GGA AM05 0 3 Ec -0.021065463 -0.023968935 0.002903472 2 1: GGA AM05 0 4 Ex -0.086845800 0.178234729 0.265080529 2 @@ -4180,7 +4313,6 @@ 1: GGA C09 0 1 Ex -0.936022009 -1.060095308 0.124073299 2 1: GGA C09 0 2 Ex -0.874708254 -0.750634955 0.124073299 2 1: GGA C09 0 3 Ex 0.196443645 0.361996406 0.165552761 2 -7: 1 7.600 0.000034818 -0.153027998 -0.153027990 -0.000000007 1: GGA C09 0 4 Ex -0.089239885 0.317814516 0.407054400 2 1: GGA BH 0 1 Ex -0.889796370 -1.050009810 0.160213441 2 1: GGA BH 0 2 Ex -0.821958838 -0.661745397 0.160213440 2 @@ -4197,7 +4329,6 @@ 1: GGA PW91 0 3 Ex -0.031255324 -0.107151259 0.075895936 2 1: GGA PW91 0 4 Ex 0.257111244 0.239434518 0.017676726 2 1: GGA PBE 0 1 Ex -0.988266338 -0.879394325 0.108872012 2 -6: 2 2.600 0.013637077 -0.718168689 -0.718168688 -0.000000000 1: GGA PBE 0 2 Ex -0.989002211 -1.097874223 0.108872012 2 1: GGA PBE 0 3 Ex -0.000457898 0.012853457 0.013311355 2 1: GGA PBE 0 4 Ex 0.003766743 -0.005249733 0.009016477 2 @@ -4218,7 +4349,6 @@ 1: GGA LYP 0 4 Ex -0.166161686 -0.164662802 0.001498884 2 1: GGA LYP 0 4 Ec 0.113517726 0.103264647 0.010253079 2 1: GGA WC 0 1 Ex -1.007571843 -0.928387375 0.079184467 2 -7: 1 7.800 0.000023687 -0.138670726 -0.138670683 -0.000000044 1: GGA WC 0 2 Ex -1.003682122 -1.082866589 0.079184467 2 1: GGA WC 0 3 Ex 0.002420384 0.014040633 0.011620248 2 1: GGA WC 0 4 Ex -0.019910465 -0.026232630 0.006322165 2 @@ -4229,7 +4359,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.949533882 -0.874582136 0.074951746 2 1: GGA PBEJsJrHEG 0 2 Ex -0.935720781 -1.010672526 0.074951746 2 1: GGA PBEJsJrHEG 0 3 Ex 0.008595223 0.017730568 0.009135345 2 -6: 2 2.800 0.011914930 -0.690336837 -0.690336839 0.000000002 1: GGA PBEJsJrHEG 0 4 Ex -0.070705664 -0.076916449 0.006210785 2 1: GGA PBEGcGxLO 0 1 Ex -0.975120044 -0.903074008 0.072046036 2 1: GGA PBEGcGxLO 0 2 Ex -0.967334386 -1.039380422 0.072046036 2 @@ -4249,7 +4378,6 @@ 1: GGA AM05 0 2 Ec -0.085170635 -0.082181378 0.002989257 2 1: GGA AM05 0 3 Ex 0.028776534 0.104679646 0.075903112 2 1: GGA AM05 0 3 Ec -0.003742498 -0.003946326 0.000203829 2 -7: 1 8.000 0.000015954 -0.119748941 -0.119748847 -0.000000094 1: GGA AM05 0 4 Ex -0.236720326 -0.232126148 0.004594179 2 1: GGA AM05 0 4 Ec 0.030786378 0.031053591 0.000267213 2 1: GGA PW86 0 1 Ex -0.914648809 -0.776976532 0.137672277 2 @@ -4257,7 +4385,6 @@ 1: GGA PW86 0 3 Ex 0.007078274 0.057641320 0.050563046 2 1: GGA PW86 0 4 Ex -0.058227004 -0.065528256 0.007301252 2 1: GGA B88 0 1 Ex -0.841940595 -0.713027245 0.128913350 2 -6: 2 3.000 0.010306678 -0.661632866 -0.661632869 0.000000003 1: GGA B88 0 2 Ex -0.809524300 -0.938437650 0.128913350 2 1: GGA B88 0 3 Ex 0.020171088 0.136106844 0.115935756 2 1: GGA B88 0 4 Ex -0.165930566 -0.164429313 0.001501253 2 @@ -4284,11 +4411,9 @@ 1: GGA PBE 0 3 Ex 0.042380685 0.217468438 0.175087753 2 1: GGA PBE 0 4 Ex 0.020109478 0.041966350 0.021856872 2 1: GGA RPBE 0 1 Ex -0.564118158 -1.407029970 0.842911812 2 -7: 1 8.200 0.000010638 -0.100010797 -0.100010654 -0.000000143 1: GGA RPBE 0 2 Ex -0.587285046 0.255626766 0.842911812 2 1: GGA RPBE 0 3 Ex 0.038664736 0.277067024 0.238402288 2 1: GGA RPBE 0 4 Ex 0.018346274 0.048110371 0.029764097 2 -6: 2 3.200 0.008826792 -0.632223061 -0.632223062 0.000000001 1: GGA revPBE 0 1 Ex -0.574894967 -1.368888193 0.793993226 2 1: GGA revPBE 0 2 Ex -0.598507763 0.195485464 0.793993227 2 1: GGA revPBE 0 3 Ex 0.039408941 0.263975409 0.224566468 2 @@ -4309,6 +4434,7 @@ 1: GGA PBEJsJrLO 0 2 Ex -0.637470845 -0.107529506 0.529941339 2 1: GGA PBEJsJrLO 0 3 Ex 0.041963701 0.191848061 0.149884359 2 1: GGA PBEJsJrLO 0 4 Ex 0.019911621 0.038624230 0.018712609 2 +3/9 Test #6: libgridxc_test_libxc ............. Passed 0.06 sec 1: GGA PBEJsJrHEG 0 1 Ex -0.638727352 -1.064337699 0.425610347 2 1: GGA PBEJsJrHEG 0 2 Ex -0.664928220 -0.239317873 0.425610347 2 1: GGA PBEJsJrHEG 0 3 Ex 0.043728343 0.164105280 0.120376937 2 @@ -4317,9 +4443,7 @@ 1: GGA PBEGcGxLO 0 2 Ex -0.638694619 -0.162930931 0.475763688 2 1: GGA PBEGcGxLO 0 3 Ex 0.042068027 0.176628835 0.134560808 2 1: GGA PBEGcGxLO 0 4 Ex 0.019961123 0.036761479 0.016800356 2 -7: 1 8.400 0.000007022 -0.082462504 -0.082462335 -0.000000169 1: GGA PBEGcGxHEG 0 1 Ex -0.634835816 -1.028638339 0.393802522 2 -6: 2 3.400 0.007484177 -0.602259891 -0.602259894 0.000000002 1: GGA PBEGcGxHEG 0 2 Ex -0.660893363 -0.267090841 0.393802522 2 1: GGA PBEGcGxHEG 0 3 Ex 0.043489146 0.154869385 0.111380240 2 1: GGA PBEGcGxHEG 0 4 Ex 0.020635438 0.034540274 0.013904835 2 @@ -4348,10 +4472,8 @@ 1: GGA C09 0 3 Ex 0.040474804 0.183460628 0.142985823 2 1: GGA C09 0 4 Ex 0.019205144 0.037061095 0.017855951 2 1: GGA BH 0 1 Ex -0.563492557 -1.158088006 0.594595449 2 -6: 2 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0.354918432 2 1: GGA PBEJsJrLO 0 3 Ex 0.062511936 0.525117173 0.462605237 2 1: GGA PBEJsJrLO 0 4 Ex -0.005072134 -0.338811783 0.333739649 2 -6: 2 10.600 0.000000025 -0.013068736 -0.013068682 -0.000000053 1: GGA PBEJsJrHEG 0 1 Ex -1.442262392 -1.719314984 0.277052592 2 1: GGA PBEJsJrHEG 0 2 Ex -1.571900981 -1.294848389 0.277052592 2 1: GGA PBEJsJrHEG 0 3 Ex 0.046980384 0.405966879 0.358986495 2 1: GGA PBEJsJrHEG 0 4 Ex -0.003811925 -0.290551575 0.286739650 2 1: GGA PBEGcGxLO 0 1 Ex -1.341648571 -1.666042820 0.324394249 2 1: GGA PBEGcGxLO 0 2 Ex -1.545416066 -1.221021817 0.324394249 2 -7: 2 2.800 0.011914930 -0.671294327 -0.671294326 -0.000000001 +7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002262 +7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002250 +7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 +7: 2 10.000 0.000000117 -0.029088011 -0.029090107 0.000002095 +7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 +7: 2 10.400 0.000000042 -0.024899792 -0.024901680 0.000001887 +7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 +7: 2 10.800 0.000000015 -0.021608555 -0.021610221 0.000001667 +7: 2 11.000 0.000000008 -0.020221667 -0.020223261 0.000001595 +7: 2 11.200 0.000000005 -0.018978407 -0.018979888 0.000001481 +7: 2 11.400 0.000000003 -0.017861495 -0.017862930 0.000001434 +7: 2 11.600 0.000000002 -0.016855994 -0.016857320 0.000001326 +7: avgDiffVxc, maxDiffVxc = 0.000000678 0.000002262 1: GGA PBEGcGxLO 0 3 Ex 0.073844334 0.497817225 0.423972891 2 1: GGA PBEGcGxLO 0 4 Ex -0.005991630 -0.296815013 0.290823383 2 1: GGA PBEGcGxHEG 0 1 Ex -1.413700421 -1.673758597 0.260058177 2 @@ -5495,7 +5583,6 @@ 1: GGA PW86 0 1 Ex -1.494928238 -1.897554436 0.402626198 2 1: GGA PW86 0 2 Ex -1.547995780 -1.145369582 0.402626198 2 1: GGA PW86 0 3 Ex 0.019231415 0.538553157 0.519321742 2 -6: 2 10.800 0.000000015 -0.010928714 -0.010928683 -0.000000031 1: GGA PW86 0 4 Ex -0.001560411 -0.447532208 0.445971797 2 1: GGA B88 0 1 Ex -1.296217518 -1.776053017 0.479835499 2 1: GGA B88 0 2 Ex -1.518263795 -1.038428296 0.479835499 2 @@ -5507,7 +5594,6 @@ 1: GGA C09 0 4 Ex -0.009933812 -0.287050686 0.277116874 2 1: GGA BH 0 1 Ex -1.046664742 -1.524339665 0.477674923 2 1: GGA BH 0 2 Ex -1.492982096 -1.015307173 0.477674923 2 -7: 2 3.000 0.010306678 -0.640127830 -0.640127827 -0.000000002 1: GGA BH 0 3 Ex 0.161743205 0.795575863 0.633832658 2 1: GGA BH 0 4 Ex -0.013123626 -0.323950729 0.310827103 2 1: @@ -5528,7 +5614,6 @@ 1: GGA RPBE 0 2 Ex -0.822659233 -0.697115983 0.125543249 2 1: GGA RPBE 0 3 Ex 0.011984774 -0.363794795 0.375779569 2 1: GGA RPBE 0 4 Ex -0.170447524 -0.081732398 0.088715126 2 -6: 2 11.000 0.000000008 -0.009107337 -0.009107290 -0.000000047 1: GGA revPBE 0 1 Ex -0.965475209 -1.072442512 0.106967303 2 1: GGA revPBE 0 2 Ex -0.779297015 -0.672329712 0.106967303 2 1: GGA revPBE 0 3 Ex 0.007136979 -0.568863900 0.576000879 2 @@ -5544,7 +5629,6 @@ 1: GGA WC 0 1 Ex -0.921198070 -1.000143888 0.078945818 2 1: GGA WC 0 2 Ex -0.779838426 -0.700892607 0.078945818 2 1: GGA WC 0 3 Ex 0.005418899 -0.378885468 0.384304367 2 -7: 2 3.200 0.008826792 -0.608140908 -0.608140905 -0.000000003 1: GGA WC 0 4 Ex -0.077067612 -0.031687072 0.045380540 2 1: GGA PBEJsJrLO 0 1 Ex -0.899756534 -0.970513934 0.070757400 2 1: GGA PBEJsJrLO 0 2 Ex -0.798003834 -0.727246433 0.070757400 2 @@ -5556,8 +5640,8 @@ 1: GGA PBEJsJrHEG 0 4 Ex -0.034824667 -0.003009743 0.031814924 2 1: GGA PBEGcGxLO 0 1 Ex -0.859560630 -0.924657249 0.065096619 2 1: GGA PBEGcGxLO 0 2 Ex -0.777777401 -0.712680782 0.065096619 2 +4/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.08 sec 1: GGA PBEGcGxLO 0 3 Ex 0.003135089 -0.371496957 0.374632046 2 -6: 2 11.200 0.000000005 -0.007563161 -0.007563164 0.000000004 1: GGA PBEGcGxLO 0 4 Ex -0.044587252 -0.011227918 0.033359334 2 1: GGA PBEGcGxHEG 0 1 Ex -0.874473337 -0.925591033 0.051117696 2 1: GGA PBEGcGxHEG 0 2 Ex -0.817294387 -0.766176690 0.051117696 2 @@ -5575,7 +5659,6 @@ 1: GGA AM05 0 3 Ec 0.000291847 0.002613498 0.002321651 2 1: GGA AM05 0 4 Ex 0.035905415 0.034325800 0.001579615 2 1: GGA AM05 0 4 Ec -0.004150643 -0.004623151 0.000472508 2 -7: 2 3.400 0.007484177 -0.575559240 -0.575559242 0.000000001 1: GGA PW86 0 1 Ex -0.886058325 -0.947263167 0.061204843 2 1: GGA PW86 0 2 Ex -0.863710815 -0.802505973 0.061204843 2 1: GGA PW86 0 3 Ex 0.000856672 -0.462857477 0.463714150 2 @@ -5588,7 +5671,6 @@ 1: GGA C09 0 2 Ex -0.656290291 -0.587359874 0.068930418 2 1: GGA C09 0 3 Ex 0.000599048 -0.726702670 0.727301718 2 1: GGA C09 0 4 Ex -0.008519668 0.003558235 0.012077903 2 -6: 2 11.400 0.000000003 -0.006258998 -0.006258995 -0.000000003 1: GGA BH 0 1 Ex -0.857022485 -0.978020843 0.120998358 2 1: GGA BH 0 2 Ex -0.621683793 -0.500685435 0.120998358 2 1: GGA BH 0 3 Ex 0.009021504 -0.591669502 0.600691006 2 @@ -5611,7 +5693,6 @@ 1: GGA RPBE 0 2 Ex -0.465320313 -0.466950191 0.001629878 2 1: GGA RPBE 0 3 Ex 0.002214697 -0.052290478 0.054505175 2 1: GGA RPBE 0 4 Ex 0.002490884 0.059984579 0.057493695 2 -7: 2 3.600 0.006282640 -0.542620903 -0.542620903 0.000000000 1: GGA revPBE 0 1 Ex -0.414275692 -0.403538419 0.010737273 2 1: GGA revPBE 0 2 Ex -0.509649270 -0.520386543 0.010737273 2 1: GGA revPBE 0 3 Ex -0.007651199 -0.246167063 0.238515864 2 @@ -5622,8 +5703,6 @@ 1: GGA LYP 0 2 Ec -0.500801812 -0.465428957 0.035372855 2 1: GGA LYP 0 3 Ex -0.001646661 -0.463594140 0.461947478 2 1: GGA LYP 0 3 Ec -0.030963489 -0.233943127 0.202979638 2 -6: 2 11.600 0.000000002 -0.005161710 -0.005161563 -0.000000147 -6: avgDiffVxc, maxDiffVxc = 0.000000043 0.000000405 1: GGA LYP 0 4 Ex -0.001852011 0.719301312 0.721153323 2 1: GGA LYP 0 4 Ec -0.034824840 -0.050371013 0.015546173 2 1: GGA WC 0 1 Ex -0.390549397 -0.384557364 0.005992033 2 @@ -5638,7 +5717,6 @@ 1: GGA PBEJsJrHEG 0 2 Ex -0.379749839 -0.383342289 0.003592449 2 1: GGA PBEJsJrHEG 0 3 Ex -0.000536474 -0.084412128 0.083875655 2 1: GGA PBEJsJrHEG 0 4 Ex -0.000603375 0.093879864 0.094483239 2 -3/9 Test #6: libgridxc_test_libxc ............. Passed 0.15 sec 1: GGA PBEGcGxLO 0 1 Ex -0.359162169 -0.351670234 0.007491935 2 1: GGA PBEGcGxLO 0 2 Ex -0.414917500 -0.422409435 0.007491935 2 1: GGA PBEGcGxLO 0 3 Ex -0.004472886 -0.167545208 0.163072322 2 @@ -5651,7 +5729,6 @@ 1: GGA PBESOL 0 2 Ex -0.414917500 -0.422409435 0.007491935 2 1: GGA PBESOL 0 3 Ex -0.004472886 -0.167545208 0.163072322 2 1: GGA PBESOL 0 4 Ex -0.005030684 0.181477058 0.186507742 2 -7: 2 3.800 0.005221523 -0.509578436 -0.509578435 -0.000000001 1: GGA AM05 0 1 Ex -0.241946100 -0.204298214 0.037647886 2 1: GGA AM05 0 1 Ec -0.036471576 -0.036504295 0.000032718 2 1: GGA AM05 0 2 Ex -0.247520890 -0.285168776 0.037647886 2 @@ -5685,7 +5762,6 @@ 1: GGA PW91 0 1 Ex -1.316763664 -1.305608565 0.011155099 2 1: GGA PW91 0 2 Ex -0.978668863 -0.989823962 0.011155100 2 1: GGA PW91 0 3 Ex -0.043294155 -0.011676620 0.031617534 2 -7: 2 4.000 0.004296443 -0.476699712 -0.476699712 0.000000000 1: GGA PW91 0 4 Ex -0.069361532 -0.116283723 0.046922191 2 1: GGA PBE 0 1 Ex -1.022149276 -0.998536351 0.023612926 2 1: GGA PBE 0 2 Ex -0.955042773 -0.978655699 0.023612926 2 @@ -5716,7 +5792,6 @@ 1: GGA PBEJsJrLO 0 3 Ex -0.000401000 0.006124248 0.006525249 2 1: GGA PBEJsJrLO 0 4 Ex -0.000642443 -0.058354988 0.057712546 2 1: GGA PBEJsJrHEG 0 1 Ex -0.929160322 -0.912937577 0.016222745 2 -7: 2 4.200 0.003500077 -0.444266875 -0.444266874 -0.000000001 1: GGA PBEJsJrHEG 0 2 Ex -0.980809572 -0.997032316 0.016222745 2 1: GGA PBEJsJrHEG 0 3 Ex 0.006613857 0.015147302 0.008533445 2 1: GGA PBEJsJrHEG 0 4 Ex 0.010596055 -0.034268310 0.044864365 2 @@ -5748,7 +5823,6 @@ 1: GGA B88 0 2 Ex -0.928040751 -0.975767631 0.047726880 2 1: GGA B88 0 3 Ex 0.030052086 0.005441942 0.024610144 2 1: GGA B88 0 4 Ex 0.048146423 -0.052811983 0.100958405 2 -7: 2 4.400 0.002822947 -0.412572354 -0.412572354 -0.000000001 1: GGA C09 0 1 Ex -0.793672010 -0.760121060 0.033550950 2 1: GGA C09 0 2 Ex -0.923349360 -0.956900311 0.033550950 2 1: GGA C09 0 3 Ex 0.016605613 -0.000213202 0.016818815 2 @@ -5785,7 +5859,6 @@ 1: GGA LYP 0 2 Ec -0.356254755 -0.318128659 0.038126096 2 1: GGA LYP 0 3 Ex 0.119944547 0.294916727 0.174972181 2 1: GGA LYP 0 3 Ec -0.130100496 -0.185988461 0.055887965 2 -7: 2 4.600 0.002254159 -0.381911080 -0.381911078 -0.000000002 1: GGA LYP 0 4 Ex -0.050402841 0.162450735 0.212853576 2 1: GGA LYP 0 4 Ec 0.054670552 -0.004919645 0.059590197 2 1: GGA WC 0 1 Ex -1.497841057 -1.476145353 0.021695704 2 @@ -5814,7 +5887,6 @@ 1: GGA PBESOL 0 4 Ex 0.010122767 0.073314941 0.063192174 2 1: GGA AM05 0 1 Ex -1.384962417 -1.317722197 0.067240220 2 1: GGA AM05 0 1 Ec -0.077289509 -0.077702575 0.000413066 2 -7: 2 4.800 0.001782061 -0.352568553 -0.352568554 0.000000001 1: GGA AM05 0 2 Ex -1.062355024 -1.129595243 0.067240219 2 1: GGA AM05 0 2 Ec -0.092102255 -0.091689189 0.000413066 2 1: GGA AM05 0 3 Ex 0.199366560 0.304324651 0.104958091 2 @@ -5850,7 +5922,6 @@ 1: GGA PBE 0 1 Ex -0.659241199 -0.769513446 0.110272247 2 1: GGA PBE 0 2 Ex -0.614284963 -0.504012716 0.110272247 2 1: GGA PBE 0 3 Ex 0.008286358 -0.727182723 0.735469081 2 -7: 2 5.000 0.001394815 -0.324805491 -0.324805493 0.000000002 1: GGA PBE 0 4 Ex 0.020680323 0.195515475 0.174835152 2 1: GGA RPBE 0 1 Ex -0.788401557 -0.556136824 0.232264733 2 1: GGA RPBE 0 2 Ex -0.695990003 -0.928254736 0.232264733 2 @@ -5882,7 +5953,6 @@ 1: GGA PBEJsJrHEG 0 4 Ex 0.012922329 0.133082632 0.120160302 2 1: GGA PBEGcGxLO 0 1 Ex -0.577581539 -0.798205091 0.220623552 2 1: GGA PBEGcGxLO 0 2 Ex -0.533256527 -0.312632975 0.220623552 2 -7: 2 5.200 0.001080853 -0.298841517 -0.298841517 -0.000000000 1: GGA PBEGcGxLO 0 3 Ex 0.008170010 -0.864913115 0.873083125 2 1: GGA PBEGcGxLO 0 4 Ex 0.020389954 0.130420974 0.110031020 2 1: GGA PBEGcGxHEG 0 1 Ex -0.584050248 -0.682985826 0.098935578 2 @@ -5913,7 +5983,6 @@ 1: GGA C09 0 2 Ex -0.384275073 0.423365405 0.807640478 2 1: GGA C09 0 3 Ex 0.011656317 -1.870931431 1.882587748 2 1: GGA C09 0 4 Ex 0.029090755 -0.094429659 0.123520414 2 -7: 2 5.400 0.000829225 -0.274842954 -0.274842954 -0.000000000 1: GGA BH 0 1 Ex -0.597048520 -0.988639178 0.391590657 2 1: GGA BH 0 2 Ex -0.550201271 -0.158610614 0.391590657 2 1: GGA BH 0 3 Ex 0.008634910 -1.159014074 1.167648984 2 @@ -5951,7 +6020,6 @@ 1: GGA WC 0 1 Ex -1.299635642 -1.326788605 0.027152963 2 1: GGA WC 0 2 Ex -1.271483585 -1.244330621 0.027152964 2 1: GGA WC 0 3 Ex 0.001410661 0.048453836 0.047043175 2 -7: 2 5.600 0.000629844 -0.252923338 -0.252923338 -0.000000000 1: GGA WC 0 4 Ex -0.007893393 0.048934876 0.056828269 2 1: GGA PBEJsJrLO 0 1 Ex -1.296317052 -1.318599255 0.022282203 2 1: GGA PBEJsJrLO 0 2 Ex -1.224440512 -1.202158309 0.022282204 2 @@ -5981,7 +6049,6 @@ 1: GGA AM05 0 3 Ec -0.002484571 -0.006561227 0.004076656 2 1: GGA AM05 0 4 Ex -0.153213359 -0.199962570 0.046749211 2 1: GGA AM05 0 4 Ec 0.013902481 0.009640700 0.004261781 2 -7: 2 5.800 0.000473640 -0.233169001 -0.233169001 -0.000000000 1: GGA PW86 0 1 Ex -1.225050099 -1.262662735 0.037612635 2 1: GGA PW86 0 2 Ex -1.101388655 -1.063776019 0.037612636 2 1: GGA PW86 0 3 Ex 0.006196507 0.044181131 0.037984624 2 @@ -6016,7 +6083,6 @@ 1: GGA RPBE 0 2 Ex -1.392057752 -1.216961589 0.175096163 2 1: GGA RPBE 0 3 Ex -0.168344164 -0.095140922 0.073203243 2 1: GGA RPBE 0 4 Ex -0.074108644 -0.007969152 0.066139492 2 -7: 2 6.000 0.000352629 -0.215702309 -0.215702310 0.000000001 1: GGA revPBE 0 1 Ex -1.627275940 -1.805276934 0.178000994 2 1: GGA revPBE 0 2 Ex -1.412321522 -1.234320529 0.178000994 2 1: GGA revPBE 0 3 Ex -0.183922858 -0.099512365 0.084410493 2 @@ -6048,7 +6114,6 @@ 1: GGA PBEGcGxHEG 0 1 Ex -1.338244479 -1.431207244 0.092962765 2 1: GGA PBEGcGxHEG 0 2 Ex -1.355860071 -1.262897306 0.092962765 2 1: GGA PBEGcGxHEG 0 3 Ex 0.015072544 0.057602943 0.042530399 2 -7: 2 6.200 0.000259921 -0.200780146 -0.200780147 0.000000001 1: GGA PBEGcGxHEG 0 4 Ex 0.006635251 0.033424853 0.026789602 2 1: GGA PBESOL 0 1 Ex -1.413216591 -1.517528523 0.104311932 2 1: GGA PBESOL 0 2 Ex -1.375368425 -1.271056493 0.104311932 2 @@ -6083,7 +6148,6 @@ 1: 1 0.706607287 -3.057535173 2.083775046 0.983671008 1: 2 0.456853538 0.313157778 0.737949750 3.053240359 1: 3 -0.228560206 5.116038136 -4.498838663 0.983104468 -7: 2 6.400 0.000189678 -0.188871729 -0.188871732 0.000000002 1: 4 -0.065871239 -2.806135139 3.314860251 -2.347433812 1: GGA PW91 0 1 Ex -1.049010259 -0.986695653 0.062314607 2 1: GGA PW91 0 2 Ex -1.013489405 -1.075804011 0.062314607 2 @@ -6116,7 +6180,6 @@ 1: GGA PBEJsJrLO 0 1 Ex -1.019198723 -0.965080527 0.054118197 2 1: GGA PBEJsJrLO 0 2 Ex -0.950794984 -1.004913181 0.054118197 2 1: GGA PBEJsJrLO 0 3 Ex 0.062599152 0.219584484 0.156985332 2 -7: 2 6.600 0.000137039 -0.180551188 -0.180551191 0.000000003 1: GGA PBEJsJrLO 0 4 Ex 0.018041127 -0.424071233 0.442112359 2 1: GGA PBEJsJrHEG 0 1 Ex -1.056805160 -1.013338128 0.043467033 2 1: GGA PBEJsJrHEG 0 2 Ex -0.989975308 -1.033442341 0.043467033 2 @@ -6146,7 +6209,6 @@ 1: GGA PW86 0 2 Ex -0.997437127 -1.060709891 0.063272764 2 1: GGA PW86 0 3 Ex 0.064349506 0.245805553 0.181456047 2 1: GGA PW86 0 4 Ex 0.018545580 -0.491120359 0.509665939 2 -7: 2 6.800 0.000098022 -0.175955357 -0.175955367 0.000000010 1: GGA B88 0 1 Ex -0.970607897 -0.897521012 0.073086885 2 1: GGA B88 0 2 Ex -0.833443480 -0.906530365 0.073086885 2 1: GGA B88 0 3 Ex 0.125524952 0.366686968 0.241162015 2 @@ -6180,7 +6242,6 @@ 1: GGA revPBE 0 1 Ex -1.005997689 -0.900358417 0.105639271 2 1: GGA revPBE 0 2 Ex -1.011775532 -1.117414803 0.105639271 2 1: GGA revPBE 0 3 Ex 0.031620378 -0.115299310 0.146919689 2 -7: 2 7.000 0.000069415 -0.173810452 -0.173810467 0.000000015 1: GGA revPBE 0 4 Ex -0.019007603 -0.247362149 0.228354546 2 1: GGA LYP 0 1 Ex -0.819194748 -0.783779327 0.035415421 2 1: GGA LYP 0 1 Ec -0.247292855 -0.161370022 0.085922834 2 @@ -6212,7 +6273,6 @@ 1: GGA PBEGcGxHEG 0 4 Ex 0.050514891 -0.082479642 0.132994532 2 1: GGA PBESOL 0 1 Ex -0.943979782 -0.885467881 0.058511901 2 1: GGA PBESOL 0 2 Ex -0.932752013 -0.991263914 0.058511901 2 -7: 2 7.200 0.000048666 -0.170894083 -0.170894097 0.000000014 1: GGA PBESOL 0 3 Ex -0.061446163 -0.140705231 0.079259068 2 1: GGA PBESOL 0 4 Ex 0.036936442 -0.086023061 0.122959503 2 1: GGA AM05 0 1 Ex -0.797390906 -0.821702327 0.024311421 2 @@ -6248,7 +6308,6 @@ 1: GGA PW91 0 1 Ex -0.238624798 -0.238385989 0.000238809 2 1: GGA PW91 0 2 Ex -0.352096075 -0.352334884 0.000238809 2 1: GGA PW91 0 3 Ex 0.265235063 0.264560547 0.000674516 2 -7: 2 7.400 0.000033779 -0.163293898 -0.163293894 -0.000000004 1: GGA PW91 0 4 Ex -0.058528276 -0.061353515 0.002825239 2 1: GGA PBE 0 1 Ex -0.385589555 -0.379751216 0.005838339 2 1: GGA PBE 0 2 Ex -0.419760720 -0.425599059 0.005838339 2 @@ -6281,7 +6340,6 @@ 1: GGA PBEJsJrHEG 0 1 Ex -0.342316475 -0.338317804 0.003998671 2 1: GGA PBEJsJrHEG 0 2 Ex -0.377095997 -0.381094669 0.003998671 2 1: GGA PBEJsJrHEG 0 3 Ex 0.081295893 0.074653069 0.006642824 2 -7: 2 7.600 0.000023212 -0.149116243 -0.149116198 -0.000000045 1: GGA PBEJsJrHEG 0 4 Ex -0.017939214 -0.044166583 0.026227369 2 1: GGA PBEGcGxLO 0 1 Ex -0.361061406 -0.353335090 0.007726315 2 1: GGA PBEGcGxLO 0 2 Ex -0.382895485 -0.390621801 0.007726315 2 @@ -6312,13 +6370,11 @@ 1: GGA B88 0 3 Ex -0.038589750 -0.074225401 0.035635652 2 1: GGA B88 0 4 Ex 0.008515433 -0.111716639 0.120232072 2 1: GGA C09 0 1 Ex -0.368897251 -0.349228118 0.019669132 2 -4/9 Test #5: libgridxc_test6 .................. Passed 0.18 sec 1: GGA C09 0 2 Ex -0.353951265 -0.373620397 0.019669132 2 1: GGA C09 0 3 Ex -0.034935708 -0.067646358 0.032710650 2 1: GGA C09 0 4 Ex 0.007709112 -0.121460427 0.129169538 2 1: GGA BH 0 1 Ex -0.446220470 -0.431579980 0.014640490 2 1: GGA BH 0 2 Ex -0.445015113 -0.459655603 0.014640490 2 -7: 2 7.800 0.000015792 -0.129929391 -0.129929289 -0.000000102 1: GGA BH 0 3 Ex -0.002817479 -0.020454683 0.017637203 2 1: GGA BH 0 4 Ex 0.000621721 -0.065113467 0.065735188 2 1: @@ -6334,7 +6390,6 @@ 1: GGA LYP 0 2 Ex 0.000000000 -0.005153797 0.005153797 2 1: GGA LYP 0 3 Ex -0.000000000 0.000686049 0.000686049 2 1: GGA LYP 0 4 Ex 0.000000000 -0.000298676 0.000298676 2 -7: 2 8.000 0.000010636 -0.109368250 -0.109368094 -0.000000157 1: GGA AM05 0 1 Ex -0.026012598 -0.084682374 0.058669776 2 1: GGA AM05 0 2 Ex -0.024922263 0.033747513 0.058669776 2 1: GGA AM05 0 3 Ex -0.001470016 0.052117163 0.053587178 2 @@ -6358,7 +6413,6 @@ 1: 3 -0.060296424 10.286073211 -4.601064285 -14.352881990 1: 4 -0.000744996 4.501228272 -9.092647766 1.078904620 1: GGA PW91 0 1 Ex -1.414974171 -2.417724419 1.002750248 2 -7: 2 8.200 0.000007092 -0.090658025 -0.090657833 -0.000000193 1: GGA PW91 0 2 Ex -1.393897505 -0.391147258 1.002750248 2 1: GGA PW91 0 3 Ex -0.009337203 1.128395664 1.137732867 2 1: GGA PW91 0 4 Ex -0.000115366 -0.484893748 0.484778382 2 @@ -6390,7 +6444,6 @@ 1: GGA PBEJsJrLO 0 2 Ex -1.399535624 -0.437650600 0.961885024 2 1: GGA PBEJsJrLO 0 3 Ex -0.011097807 1.077648132 1.088745939 2 1: GGA PBEJsJrLO 0 4 Ex -0.000137120 -0.253049025 0.252911905 2 -7: 2 8.400 0.000004681 -0.075347142 -0.075346959 -0.000000183 1: GGA PBEJsJrHEG 0 1 Ex -1.427270028 -2.240476628 0.813206600 2 1: GGA PBEJsJrHEG 0 2 Ex -1.414765573 -0.601558973 0.813206600 2 1: GGA PBEJsJrHEG 0 3 Ex -0.005539616 0.915624868 0.921164484 2 @@ -6421,7 +6474,6 @@ 1: GGA PW86 0 4 Ex -0.000239803 -0.377933472 0.377693669 2 1: GGA B88 0 1 Ex -1.414017620 -2.471437342 1.057419722 2 1: GGA B88 0 2 Ex -1.388201580 -0.330781859 1.057419721 2 -7: 2 8.600 0.000003059 -0.063522910 -0.063522832 -0.000000078 1: GGA B88 0 3 Ex -0.011436800 1.187908763 1.199345563 2 1: GGA B88 0 4 Ex -0.000141308 -0.477683038 0.477541730 2 1: GGA C09 0 1 Ex -1.433843384 -2.218623433 0.784780048 2 @@ -6457,7 +6509,6 @@ 1: GGA LYP 0 1 Ex -1.029645602 -1.012261110 0.017384492 2 1: GGA LYP 0 1 Ec -0.131678444 -0.138906737 0.007228293 2 1: GGA LYP 0 2 Ex -0.792567544 -0.809952036 0.017384492 2 -7: 2 8.800 0.000001979 -0.054565736 -0.054565986 0.000000250 1: GGA LYP 0 2 Ec -0.417171447 -0.409943153 0.007228294 2 1: GGA LYP 0 3 Ex -0.092414665 -0.036853390 0.055561275 2 1: GGA LYP 0 3 Ec 0.111287145 0.152312916 0.041025771 2 @@ -6495,7 +6546,6 @@ 1: GGA AM05 0 3 Ec 0.021228966 0.019608173 0.001620793 2 1: GGA AM05 0 4 Ex -0.084311586 -0.132837173 0.048525588 2 1: GGA AM05 0 4 Ec 0.012643260 0.015438946 0.002795686 2 -7: 2 9.000 0.000001268 -0.047730494 -0.047731613 0.000001119 1: GGA PW86 0 1 Ex -1.026043577 -1.018878621 0.007164956 2 1: GGA PW86 0 2 Ex -0.951819783 -0.958984740 0.007164956 2 1: GGA PW86 0 3 Ex -0.028932948 0.043226750 0.072159697 2 @@ -6546,7 +6596,6 @@ 1: GGA WC 0 2 Ex -1.053515096 -0.968032945 0.085482152 2 1: GGA WC 0 3 Ex -0.068845815 0.134041843 0.202887658 2 1: GGA WC 0 4 Ex -0.015971942 -0.468001065 0.452029123 2 -7: 2 9.200 0.000000804 -0.042399692 -0.042401841 0.000002149 1: GGA PBEJsJrLO 0 1 Ex -1.175813093 -1.262507691 0.086694598 2 1: GGA PBEJsJrLO 0 2 Ex -1.100816311 -1.014121713 0.086694598 2 1: GGA PBEJsJrLO 0 3 Ex -0.032702333 0.171839493 0.204541827 2 @@ -6591,7 +6640,6 @@ 1: GGA BH 0 2 Ex -0.894242934 -0.786938863 0.107304071 2 1: GGA BH 0 3 Ex -0.095124707 0.161031840 0.256156547 2 1: GGA BH 0 4 Ex -0.022068535 -0.595852481 0.573783946 2 -7: 2 9.400 0.000000504 -0.038127408 -0.038129670 0.000002262 1: 1: iSpin dens gradDens 1: 1 0.124699197 0.126452088 0.705180620 -0.063249907 @@ -6641,7 +6689,6 @@ 1: GGA PBEGcGxHEG 0 1 Ex -0.578427531 -0.557723865 0.020703666 2 1: GGA PBEGcGxHEG 0 2 Ex -0.442655719 -0.463359385 0.020703666 2 1: GGA PBEGcGxHEG 0 3 Ex 0.045902231 0.075211707 0.029309476 2 -7: 2 9.600 0.000000313 -0.034608838 -0.034611088 0.000002250 1: GGA PBEGcGxHEG 0 4 Ex 0.121000195 0.121497028 0.000496832 2 1: GGA PBESOL 0 1 Ex -0.592266574 -0.570361725 0.021904849 2 1: GGA PBESOL 0 2 Ex -0.484959734 -0.506864584 0.021904849 2 @@ -6693,7 +6740,6 @@ 1: GGA revPBE 0 2 Ex -0.424162909 -0.326594000 0.097568909 2 1: GGA revPBE 0 3 Ex 0.031852842 0.186577646 0.154724804 2 1: GGA revPBE 0 4 Ex 0.033178559 -0.139604052 0.172782611 2 -7: 2 9.800 0.000000193 -0.031640567 -0.031642752 0.000002185 1: GGA LYP 0 1 Ex -0.416619322 -0.542669270 0.126049948 2 1: GGA LYP 0 1 Ec -0.774196995 -0.754757702 0.019439293 2 1: GGA LYP 0 2 Ex -0.409109154 -0.283059207 0.126049948 2 @@ -6744,7 +6790,6 @@ 1: GGA B88 0 4 Ex 0.015120562 -0.174723386 0.189843949 2 1: GGA C09 0 1 Ex -0.449155561 -0.494786576 0.045631015 2 1: GGA C09 0 2 Ex -0.434782371 -0.389151355 0.045631015 2 -7: 2 10.000 0.000000117 -0.029088011 -0.029090107 0.000002095 1: GGA C09 0 3 Ex 0.027770900 0.100159625 0.072388726 2 1: GGA C09 0 4 Ex 0.028926726 -0.051906192 0.080832918 2 1: GGA BH 0 1 Ex -0.451736932 -0.507442269 0.055705337 2 @@ -6759,6 +6804,7 @@ 1: 4 -0.263414526 -6.957099186 6.449181357 -10.836933126 1: GGA PW91 0 1 Ex -2.159494910 -2.216478754 0.056983844 2 1: GGA PW91 0 2 Ex -1.613135924 -1.556152081 0.056983843 2 +5/9 Test #5: libgridxc_test6 .................. Passed 0.11 sec 1: GGA PW91 0 3 Ex -0.233620218 -0.174229580 0.059390638 2 1: GGA PW91 0 4 Ex -0.103534906 -0.087192942 0.016341964 2 1: GGA PBE 0 1 Ex -1.468533249 -1.507304997 0.038771748 2 @@ -6794,7 +6840,6 @@ 1: GGA PBEJsJrHEG 0 3 Ex 0.076151018 0.089999889 0.013848871 2 1: GGA PBEJsJrHEG 0 4 Ex 0.033748314 0.072953213 0.039204899 2 1: GGA PBEGcGxLO 0 1 Ex -1.379156727 -1.402541760 0.023385033 2 -7: 2 10.200 0.000000071 -0.026861487 -0.026863473 0.000001986 1: GGA PBEGcGxLO 0 2 Ex -1.507987496 -1.484602462 0.023385034 2 1: GGA PBEGcGxLO 0 3 Ex 0.055087357 0.064303392 0.009216036 2 1: GGA PBEGcGxLO 0 4 Ex 0.024413402 0.065319987 0.040906585 2 @@ -6847,7 +6892,6 @@ 1: GGA RPBE 0 1 Ex -1.172969816 -1.078454008 0.094515807 2 1: GGA RPBE 0 2 Ex -1.120381609 -1.214897416 0.094515807 2 1: GGA RPBE 0 3 Ex 0.041427669 0.085752189 0.044324520 2 -7: 2 10.400 0.000000042 -0.024899792 -0.024901680 0.000001887 1: GGA RPBE 0 4 Ex 0.022687750 0.051291153 0.028603403 2 1: GGA revPBE 0 1 Ex -1.254010333 -1.164882833 0.089127500 2 1: GGA revPBE 0 2 Ex -1.312495408 -1.401622909 0.089127500 2 @@ -6896,7 +6940,6 @@ 1: GGA PW86 0 1 Ex -1.336454012 -1.260022326 0.076431686 2 1: GGA PW86 0 2 Ex -1.289757092 -1.366188778 0.076431686 2 1: GGA PW86 0 3 Ex 0.036786661 0.078024159 0.041237497 2 -7: 2 10.600 0.000000025 -0.023159554 -0.023161337 0.000001783 1: GGA PW86 0 4 Ex 0.020146115 0.033427700 0.013281585 2 1: GGA B88 0 1 Ex -1.238414990 -1.136836159 0.101578830 2 1: GGA B88 0 2 Ex -1.145998161 -1.247576992 0.101578831 2 @@ -6948,7 +6991,6 @@ 1: GGA PBEJsJrLO 0 2 Ex -1.281214032 -1.128800145 0.152413887 2 1: GGA PBEJsJrLO 0 3 Ex -0.147592285 -0.094856968 0.052735317 2 1: GGA PBEJsJrLO 0 4 Ex 0.004484835 0.015008364 0.010523530 2 -7: 2 10.800 0.000000015 -0.021608555 -0.021610221 0.000001667 1: GGA PBEJsJrHEG 0 1 Ex -1.421728752 -1.538602647 0.116873896 2 1: GGA PBEJsJrHEG 0 2 Ex -1.329011443 -1.212137547 0.116873896 2 1: GGA PBEJsJrHEG 0 3 Ex -0.134801671 -0.094377176 0.040424495 2 @@ -6999,7 +7041,6 @@ 1: GGA PW91 0 2 Ex -0.989569654 -0.912025007 0.077544647 2 1: GGA PW91 0 3 Ex 0.001009804 -0.375112650 0.376122454 2 1: GGA PW91 0 4 Ex -0.006402558 -0.059116381 0.052713823 2 -7: 2 11.000 0.000000008 -0.020221667 -0.020223261 0.000001595 1: GGA PBE 0 1 Ex -1.018280501 -1.102433927 0.084153427 2 1: GGA PBE 0 2 Ex -1.014451775 -0.930298348 0.084153427 2 1: GGA PBE 0 3 Ex 0.003543276 -0.312790787 0.316334062 2 @@ -7046,7 +7087,6 @@ 1: GGA PBESOL 0 4 Ex 0.013967830 -0.034121158 0.048088988 2 1: GGA AM05 0 1 Ex -0.866023248 -0.891911623 0.025888374 2 1: GGA AM05 0 1 Ec -0.070716134 -0.069528322 0.001187813 2 -7: 2 11.200 0.000000005 -0.018978407 -0.018979888 0.000001481 1: GGA AM05 0 2 Ex -0.875107891 -0.849219517 0.025888374 2 1: GGA AM05 0 2 Ec -0.070174088 -0.071361901 0.001187813 2 1: GGA AM05 0 3 Ex -0.008407338 -0.366213622 0.357806284 2 @@ -7102,7 +7142,6 @@ 1: GGA WC 0 1 Ex -0.983917852 -0.979853042 0.004064810 2 1: GGA WC 0 2 Ex -0.858071284 -0.862136094 0.004064810 2 1: GGA WC 0 3 Ex -0.008769463 -0.071618697 0.062849233 2 -7: 2 11.400 0.000000003 -0.017861495 -0.017862930 0.000001434 1: GGA WC 0 4 Ex -0.092685952 -0.089499030 0.003186922 2 1: GGA PBEJsJrLO 0 1 Ex -0.968693408 -0.967660221 0.001033186 2 1: GGA PBEJsJrLO 0 2 Ex -0.879546032 -0.880579218 0.001033186 2 @@ -7148,8 +7187,6 @@ 1: GGA BH 0 2 Ex -0.801017864 -0.780837766 0.020180098 2 1: GGA BH 0 3 Ex -0.005790076 -0.143591450 0.137801374 2 1: GGA BH 0 4 Ex -0.061196297 -0.034458241 0.026738056 2 -7: 2 11.600 0.000000002 -0.016855994 -0.016857320 0.000001326 -7: avgDiffVxc, maxDiffVxc = 0.000000678 0.000002262 1: 1: iSpin dens gradDens 1: 1 0.783727994 6.166283994 4.549067558 -2.323456523 @@ -7172,7 +7209,6 @@ 1: GGA revPBE 0 2 Ex -1.526220193 -1.538858198 0.012638005 2 1: GGA revPBE 0 3 Ex -0.084044445 -0.175291092 0.091246647 2 1: GGA revPBE 0 4 Ex 0.080608865 -0.023503044 0.104111909 2 -5/9 Test #7: libgridxc_test_libxc2 ............ Passed 0.20 sec 1: GGA LYP 0 1 Ex -1.090359879 -1.048237995 0.042121885 2 1: GGA LYP 0 1 Ec -0.200902536 -0.199452417 0.001450119 2 1: GGA LYP 0 2 Ex -1.408232175 -1.450354060 0.042121886 2 @@ -9474,143 +9510,143 @@ 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 0.29 sec +6/9 Test #1: libgridxc_test1 .................. Passed 0.17 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 -1.000195109 0.000834948 -2: 1 0.400 0.046677283 -0.999006885 -0.998709312 -0.000297572 -2: 1 0.600 0.045524817 -0.987412253 -0.987508032 0.000095779 -3: Ex, Ec = -3.716289981 -0.771674483 -3: Dx, Dc = 1.192543612 0.121155159 -2: 1 0.800 0.043959010 -0.980158453 -0.980143445 -0.000015008 -2: 1 1.000 0.042024703 -0.963929151 -0.963927471 -0.000001680 -2: 1 1.200 0.039775757 -0.949006509 -0.949005809 -0.000000700 -2: 1 1.400 0.037272568 -0.929353368 -0.929356357 0.000002989 -2: 1 1.600 0.034579382 -0.908100586 -0.908099065 -0.000001520 -2: 1 1.800 0.031761587 -0.884442948 -0.884442165 -0.000000783 -2: 1 2.000 0.028883127 -0.858808538 -0.858809376 0.000000838 +2: 1 0.200 0.047382720 -0.999360161 -1.000195365 0.000835204 +2: 1 0.400 0.046677283 -0.999006885 -0.998709271 -0.000297614 +2: 1 0.600 0.045524817 -0.987412253 -0.987508074 0.000095821 +2: 1 0.800 0.043959010 -0.980158453 -0.980143435 -0.000015019 +2: 1 1.000 0.042024703 -0.963929151 -0.963927460 -0.000001691 3: i1 i2 i3 iSpin Vxc dExc/dDens diff 3: 2 8 13 2 -0.313847006 -0.313846992 -0.000000014 -2: 1 2.200 0.026004187 -0.831341143 -0.831341122 -0.000000020 -2: 1 2.400 0.023179251 -0.802320622 -0.802320404 -0.000000217 -2: 1 2.600 0.020455616 -0.772056571 -0.772056926 0.000000354 -2: 1 2.800 0.017872394 -0.740675199 -0.740674877 -0.000000322 -2: 1 3.000 0.015460016 -0.708430779 -0.708429558 -0.000001221 -2: 1 3.200 0.013240188 -0.675669578 -0.675674005 0.000004427 +2: 1 1.200 0.039775757 -0.949006509 -0.949005805 -0.000000705 +2: 1 1.400 0.037272568 -0.929353368 -0.929356361 0.000002993 +2: 1 1.600 0.034579382 -0.908100586 -0.908099070 -0.000001516 +2: 1 1.800 0.031761587 -0.884442948 -0.884442167 -0.000000781 +2: 1 2.000 0.028883127 -0.858808538 -0.858809379 0.000000841 +2: 1 2.200 0.026004187 -0.831341143 -0.831341121 -0.000000021 +2: 1 2.400 0.023179251 -0.802320622 -0.802320406 -0.000000216 +2: 1 2.600 0.020455616 -0.772056571 -0.772056927 0.000000355 3: 4 2 23 2 -0.524218962 -0.524218947 -0.000000015 -2: 1 3.400 0.011226266 -0.642459702 -0.642454692 -0.000005011 -2: 1 3.600 0.009423960 -0.609091304 -0.609092447 0.000001143 +2: 1 2.800 0.017872394 -0.740675199 -0.740674878 -0.000000321 +2: 1 3.000 0.015460016 -0.708430779 -0.708429557 -0.000001222 +2: 1 3.200 0.013240188 -0.675669578 -0.675674006 0.000004428 +2: 1 3.400 0.011226266 -0.642459702 -0.642454691 -0.000005011 +2: 1 3.600 0.009423960 -0.609091304 -0.609092446 0.000001143 2: 1 3.800 0.007832284 -0.575839731 -0.575841530 0.000001799 -2: 1 4.000 0.006444664 -0.542697531 -0.542696460 -0.000001071 +2: 1 4.000 0.006444664 -0.542697531 -0.542696461 -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 -0.446566564 -0.000011084 3: 5 6 2 1 -0.626312320 -0.626312326 0.000000006 +2: 1 4.400 0.004234421 -0.478003232 -0.478007540 0.000004308 +2: 1 4.600 0.003381238 -0.446577649 -0.446566564 -0.000011085 2: 1 4.800 0.002673091 -0.416186718 -0.416202730 0.000016012 2: 1 5.000 0.002092223 -0.386734472 -0.386724841 -0.000009632 -2: 1 5.200 0.001621280 -0.359258071 -0.359253816 -0.000004256 -2: 1 5.400 0.001243837 -0.329009264 -0.329019032 0.000009767 -2: 1 5.600 0.000944766 -0.268263860 -0.268258609 -0.000005251 -2: 1 5.800 0.000710460 -0.184072378 -0.184073424 0.000001045 -3: 4 2 9 2 -0.561691010 -0.561691011 0.000000000 +2: 1 5.200 0.001621280 -0.359258071 -0.359253816 -0.000004255 +2: 1 5.400 0.001243837 -0.329009264 -0.329019031 0.000009767 +2: 1 5.600 0.000944766 -0.268263860 -0.268258610 -0.000005250 +2: 1 5.800 0.000710460 -0.184072378 -0.184073423 0.000001045 +3: 4 2 9 2 -0.561691010 -0.561691010 -0.000000001 2: 1 6.000 0.000528944 -0.147193854 -0.147194457 0.000000603 -2: 1 6.200 0.000389881 -0.169127143 -0.169125287 -0.000001857 -2: 1 6.400 0.000284517 -0.195915387 -0.195917508 0.000002121 -2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000676 +2: 1 6.200 0.000389881 -0.169127143 -0.169125286 -0.000001857 +2: 1 6.400 0.000284517 -0.195915387 -0.195917509 0.000002122 +2: 1 6.600 0.000205559 -0.203472102 -0.203471426 -0.000000677 2: 1 6.800 0.000147033 -0.198598658 -0.198597592 -0.000001066 2: 1 7.000 0.000104122 -0.189565923 -0.189567430 0.000001507 2: 1 7.200 0.000072999 -0.181016372 -0.181015279 -0.000001093 -3: 7 3 21 1 -0.491741169 -0.491741171 0.000000002 +3: 7 3 21 1 -0.491741169 -0.491741173 0.000000004 2: 1 7.400 0.000050669 -0.173604245 -0.173604994 0.000000749 2: 1 7.600 0.000034818 -0.165710223 -0.165709116 -0.000001106 2: 1 7.800 0.000023687 -0.155572229 -0.155573540 0.000001311 2: 1 8.000 0.000015954 -0.142174017 -0.142175066 0.000001050 2: 1 8.200 0.000010638 -0.126477393 -0.126473509 -0.000003883 2: 1 8.400 0.000007022 -0.110553043 -0.110555103 0.000002060 -3: 1 2 0 2 -0.680189858 -0.680189862 0.000000004 -2: 1 8.600 0.000004589 -0.096226748 -0.096227608 0.000000861 +2: 1 8.600 0.000004589 -0.096226748 -0.096227609 0.000000861 2: 1 8.800 0.000002969 -0.084195519 -0.084194595 -0.000000924 +3: 1 2 0 2 -0.680189858 -0.680189862 0.000000004 2: 1 9.000 0.000001902 -0.074352560 -0.074354361 0.000001801 2: 1 9.200 0.000001206 -0.066227937 -0.066230345 0.000002408 2: 1 9.400 0.000000757 -0.059254673 -0.059259092 0.000004419 -2: 1 9.600 0.000000470 -0.053256096 -0.053258877 0.000002780 +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 -0.043053583 0.000002771 -2: 1 10.200 0.000000106 -0.038722914 -0.038725317 0.000002403 +2: 1 10.000 0.000000176 -0.043050812 -0.043053582 0.000002771 +2: 1 10.200 0.000000106 -0.038722914 -0.038725316 0.000002403 2: 1 10.400 0.000000063 -0.034770816 -0.034772943 0.000002127 -2: 1 10.600 0.000000037 -0.031177334 -0.031179201 0.000001867 -2: 1 10.800 0.000000022 -0.027908137 -0.027909791 0.000001654 -2: 1 11.000 0.000000013 -0.024937534 -0.024938983 0.000001449 -2: 1 11.200 0.000000007 -0.022242269 -0.022243502 0.000001233 -2: 1 11.400 0.000000004 -0.019801203 -0.019802315 0.000001111 -2: 1 11.600 0.000000002 -0.017594752 -0.017595952 0.000001201 -2: 1 11.800 0.000000001 -0.015604553 -0.015605187 0.000000635 +2: 1 10.600 0.000000037 -0.031177334 -0.031179203 0.000001869 +2: 1 10.800 0.000000022 -0.027908137 -0.027909788 0.000001650 +2: 1 11.000 0.000000013 -0.024937534 -0.024938984 0.000001451 +2: 1 11.200 0.000000007 -0.022242269 -0.022243493 0.000001223 +2: 1 11.400 0.000000004 -0.019801203 -0.019802328 0.000001125 +2: 1 11.600 0.000000002 -0.017594752 -0.017595983 0.000001232 +2: 1 11.800 0.000000001 -0.015604553 -0.015605257 0.000000704 2: iSpin r dens Vxc dExc/dDens diff 2: 2 0.000 0.031746818 -0.915508806 -2: 2 0.200 0.031588480 -0.915751674 -0.916586932 0.000835257 -2: 2 0.400 0.031118189 -0.916480278 -0.916182746 -0.000297532 -2: 2 0.600 0.030349878 -0.905234497 -0.905330289 0.000095792 -2: 2 0.800 0.029306007 -0.899618247 -0.899603231 -0.000015015 -2: 2 1.000 0.028016469 -0.884545454 -0.884543779 -0.000001675 -2: 2 1.200 0.026517171 -0.871612702 -0.871612009 -0.000000694 -2: 2 1.400 0.024848378 -0.853952605 -0.853955596 0.000002991 -2: 2 1.600 0.023052921 -0.835057592 -0.835056081 -0.000001510 -2: 2 1.800 0.021174391 -0.813963082 -0.813962299 -0.000000783 -2: 2 2.000 0.019255418 -0.791103995 -0.791104831 0.000000836 -2: 2 2.200 0.017336125 -0.766590785 -0.766590755 -0.000000030 -2: 2 2.400 0.015452834 -0.740674175 -0.740673949 -0.000000226 -2: 2 2.600 0.013637077 -0.713633471 -0.713633825 0.000000354 -2: 2 2.800 0.011914930 -0.685564496 -0.685564172 -0.000000325 -2: 2 3.000 0.010306678 -0.656691901 -0.656690678 -0.000001223 -2: 2 3.200 0.008826792 -0.627334141 -0.627338575 0.000004434 -2: 2 3.400 0.007484177 -0.597534542 -0.597529532 -0.000005011 -2: 2 3.600 0.006282640 -0.567562765 -0.567563907 0.000001142 +2: 2 0.200 0.031588480 -0.915751674 -0.916587132 0.000835458 +2: 2 0.400 0.031118189 -0.916480278 -0.916182677 -0.000297601 +2: 2 0.600 0.030349878 -0.905234497 -0.905330270 0.000095774 +2: 2 0.800 0.029306007 -0.899618247 -0.899603254 -0.000014993 +2: 2 1.000 0.028016469 -0.884545454 -0.884543768 -0.000001686 +2: 2 1.200 0.026517171 -0.871612702 -0.871612019 -0.000000683 +2: 2 1.400 0.024848378 -0.853952605 -0.853955601 0.000002996 +2: 2 1.600 0.023052921 -0.835057592 -0.835056079 -0.000001513 +2: 2 1.800 0.021174391 -0.813963082 -0.813962301 -0.000000781 +2: 2 2.000 0.019255418 -0.791103995 -0.791104834 0.000000839 +2: 2 2.200 0.017336125 -0.766590785 -0.766590755 -0.000000031 +2: 2 2.400 0.015452834 -0.740674175 -0.740673951 -0.000000224 +2: 2 2.600 0.013637077 -0.713633471 -0.713633826 0.000000355 +2: 2 2.800 0.011914930 -0.685564496 -0.685564171 -0.000000325 +2: 2 3.000 0.010306678 -0.656691901 -0.656690677 -0.000001224 +2: 2 3.200 0.008826792 -0.627334141 -0.627338574 0.000004433 +2: 2 3.400 0.007484177 -0.597534542 -0.597529531 -0.000005011 +2: 2 3.600 0.006282640 -0.567562765 -0.567563908 0.000001143 2: 2 3.800 0.005221523 -0.537678412 -0.537680209 0.000001797 -2: 2 4.000 0.004296443 -0.507860006 -0.507858937 -0.000001069 -2: 2 4.200 0.003500077 -0.478500307 -0.478499492 -0.000000816 -2: 2 4.400 0.002822947 -0.449602251 -0.449606558 0.000004307 -2: 2 4.600 0.002254159 -0.421308745 -0.421297661 -0.000011084 +2: 2 4.000 0.004296443 -0.507860006 -0.507858937 -0.000001070 +2: 2 4.200 0.003500077 -0.478500307 -0.478499491 -0.000000816 +2: 2 4.400 0.002822947 -0.449602251 -0.449606559 0.000004308 +2: 2 4.600 0.002254159 -0.421308745 -0.421297661 -0.000011083 2: 2 4.800 0.001782061 -0.394081537 -0.394097552 0.000016015 -2: 2 5.000 0.001394815 -0.368503162 -0.368493535 -0.000009628 -2: 2 5.200 0.001080853 -0.338654863 -0.338650607 -0.000004256 +2: 2 5.000 0.001394815 -0.368503162 -0.368493535 -0.000009627 +2: 2 5.200 0.001080853 -0.338654863 -0.338650608 -0.000004256 2: 2 5.400 0.000829225 -0.277895720 -0.277905487 0.000009767 2: 2 5.600 0.000629844 -0.196381546 -0.196376297 -0.000005249 2: 2 5.800 0.000473640 -0.161618667 -0.161619714 0.000001047 -2: 2 6.000 0.000352629 -0.182070066 -0.182070669 0.000000602 +2: 2 6.000 0.000352629 -0.182070066 -0.182070669 0.000000603 2: 2 6.200 0.000259921 -0.206718897 -0.206717038 -0.000001859 2: 2 6.400 0.000189678 -0.212964826 -0.212966945 0.000002119 2: 2 6.600 0.000137039 -0.206427971 -0.206427295 -0.000000676 2: 2 6.800 0.000098022 -0.195576084 -0.195575020 -0.000001064 2: 2 7.000 0.000069415 -0.184792808 -0.184794315 0.000001508 2: 2 7.200 0.000048666 -0.176119925 -0.176118833 -0.000001092 -2: 2 7.400 0.000033779 -0.169045503 -0.169046255 0.000000752 +2: 2 7.400 0.000033779 -0.169045503 -0.169046254 0.000000751 2: 2 7.600 0.000023212 -0.161554180 -0.161553078 -0.000001102 2: 2 7.800 0.000015792 -0.151793526 -0.151794848 0.000001322 2: 2 8.000 0.000010636 -0.138751509 -0.138752581 0.000001072 2: 2 8.200 0.000007092 -0.123406831 -0.123402998 -0.000003833 -2: 2 8.400 0.000004681 -0.107833248 -0.107835424 0.000002176 +2: 2 8.400 0.000004681 -0.107833248 -0.107835423 0.000002176 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 -0.064617440 0.000003544 2: 2 9.400 0.000000504 -0.057796389 -0.057800206 0.000003817 2: 2 9.600 0.000000313 -0.051913010 -0.051915902 0.000002892 -2: 2 9.800 0.000000193 -0.046631823 -0.046634643 0.000002819 +2: 2 9.800 0.000000193 -0.046631823 -0.046634643 0.000002820 2: 2 10.000 0.000000117 -0.041859516 -0.041862068 0.000002552 -2: 2 10.200 0.000000071 -0.037586671 -0.037588902 0.000002232 -2: 2 10.400 0.000000042 -0.033684342 -0.033686314 0.000001972 -2: 2 10.600 0.000000025 -0.030139120 -0.030140863 0.000001743 -2: 2 10.800 0.000000015 -0.026918806 -0.026920319 0.000001513 -2: 2 11.000 0.000000008 -0.023998661 -0.023999993 0.000001332 -2: 2 11.200 0.000000005 -0.021355613 -0.021356863 0.000001250 -2: 2 11.400 0.000000003 -0.018968230 -0.018969175 0.000000945 -2: 2 11.600 0.000000002 -0.016816386 -0.016817193 0.000000807 -2: avgDiffVxc, maxDiffVxc = 0.000088785 0.000835257 -7/9 Test #2: libgridxc_test2 .................. Passed 22.45 sec +2: 2 10.200 0.000000071 -0.037586671 -0.037588904 0.000002233 +2: 2 10.400 0.000000042 -0.033684342 -0.033686316 0.000001974 +2: 2 10.600 0.000000025 -0.030139120 -0.030140868 0.000001748 +2: 2 10.800 0.000000015 -0.026918806 -0.026920321 0.000001515 +2: 2 11.000 0.000000008 -0.023998661 -0.023999999 0.000001339 +2: 2 11.200 0.000000005 -0.021355613 -0.021356848 0.000001236 +2: 2 11.400 0.000000003 -0.018968230 -0.018969150 0.000000920 +2: 2 11.600 0.000000002 -0.016816386 -0.016817150 0.000000764 +2: avgDiffVxc, maxDiffVxc = 0.000088808 0.000835458 +7/9 Test #2: libgridxc_test2 .................. Passed 7.86 sec 4: 4: funcs= VDW 4: auths= BH @@ -9621,7 +9657,7 @@ 4: atomDx, cellDx, diff = 1.349799036 1.349797201 0.000001835 4: atomDc, cellDc, diff = 0.155982425 0.155866069 0.000116356 4: avgDiffVxc, maxDiffVxc = 0.000006162 0.038047291 -8/9 Test #4: libgridxc_test4 .................. Passed 22.94 sec +8/9 Test #4: libgridxc_test4 .................. Passed 9.27 sec 3: xc stress * volume = 3: -4.405894836 -0.011039400 0.003122993 3: -0.011039400 -4.442866097 0.004079677 @@ -9634,17 +9670,17 @@ 3: 0.000022309 -0.000006705 0.000059142 3: -0.000006705 0.000002015 -0.000017774 3: 0.000059142 -0.000017774 0.000156789 -9/9 Test #3: libgridxc_test3 .................. Passed 30.95 sec +9/9 Test #3: libgridxc_test3 .................. Passed 11.83 sec 100% tests passed, 0 tests failed out of 9 -Total Test time (real) = 30.95 sec +Total Test time (real) = 11.83 sec make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' create-stamp debian/debhelper-build-stamp dh_testroot -O--buildsystem=cmake dh_prep -O--buildsystem=cmake dh_auto_install --destdir=debian/libgridxc-dev/ -O--buildsystem=cmake - cd obj-i686-linux-gnu && make -j11 install DESTDIR=/build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-i686-linux-gnu && make -j21 install DESTDIR=/build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libgridxc-2.1.0 -B/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu//CMakeFiles/progress.marks @@ -9664,22 +9700,22 @@ make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/depend make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/depend make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/depend cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test2.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/depend +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' +cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc.dir/DependInfo.cmake "--color=" -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/depend -cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test6.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_libxc2.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' @@ -9687,58 +9723,58 @@ make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' cd /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libgridxc-2.1.0 /build/reproducible-path/libgridxc-2.1.0/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/Testers/CMakeFiles/libgridxc-test_hse06.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build +make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test2.dir/build.make Testers/CMakeFiles/libgridxc-test2.dir/build -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc.dir/build'. +make -f Testers/CMakeFiles/libgridxc-test1.dir/build.make Testers/CMakeFiles/libgridxc-test1.dir/build make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make -f Testers/CMakeFiles/libgridxc-test3.dir/build.make Testers/CMakeFiles/libgridxc-test3.dir/build -make -f Testers/CMakeFiles/libgridxc-test6.dir/build.make Testers/CMakeFiles/libgridxc-test6.dir/build +make -f Testers/CMakeFiles/libgridxc-test4.dir/build.make Testers/CMakeFiles/libgridxc-test4.dir/build +make -f Testers/CMakeFiles/libgridxc-test_libxc.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_libxc2.dir/build.make Testers/CMakeFiles/libgridxc-test_libxc2.dir/build make -f Testers/CMakeFiles/libgridxc-test_match.dir/build.make Testers/CMakeFiles/libgridxc-test_match.dir/build -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test1.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test2.dir/build'. -make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test3.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test4.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/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-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test6.dir/build'. +make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_libxc2.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' make[3]: Nothing to be done for 'Testers/CMakeFiles/libgridxc-test_match.dir/build'. make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' -make -f Testers/CMakeFiles/libgridxc-test_hse06.dir/build.make Testers/CMakeFiles/libgridxc-test_hse06.dir/build make[3]: Entering directory '/build/reproducible-path/libgridxc-2.1.0/obj-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-2.1.0/obj-i686-linux-gnu' -[ 68%] Built target libgridxc-test_libxc -[ 72%] Built target libgridxc-test4 -[ 82%] Built target libgridxc-test3 -[ 82%] Built target libgridxc-test_libxc2 -[ 86%] Built target libgridxc-test6 -[ 90%] Built target libgridxc-test1 -[ 92%] Built target libgridxc-test2 -[ 96%] Built target libgridxc-test_match +[ 72%] Built target libgridxc-test6 +[ 72%] Built target libgridxc-test2 +[ 80%] Built target libgridxc-test1 +[ 80%] Built target libgridxc-test4 +[ 84%] Built target libgridxc-test_libxc +[ 88%] Built target libgridxc-test_libxc2 +[ 92%] Built target libgridxc-test_match +[ 96%] Built target libgridxc-test3 [100%] Built target libgridxc-test_hse06 make[2]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu/CMakeFiles 0 @@ -9756,40 +9792,40 @@ -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/lib/i386-linux-gnu/cmake/libgridxc/libgridxc-targets-relwithdebinfo.cmake -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0 --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_radfft.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sorting.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xwpbe.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_walltime.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gga.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft_gpfa.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh3d.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fftr.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_config.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_xcmod.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_sys.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cellsubs.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_chkgmx.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_interpolation.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_lda.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_debugxc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_cell.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_array.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_dp.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_fft3d.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_hybrids.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_moreparallelsubs.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_bessph.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_minvec.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc.mod --- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_alloc.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_precision.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_vv_vdwxc.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_io.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_atom.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_gpfa_core_sp.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_am05.mod +-- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/include/libgridxc/GNU-14.2.0/gridxc_mesh1d.mod -- Installing: /build/reproducible-path/libgridxc-2.1.0/debian/libgridxc-dev/usr/share/licenses/libgridxc/COPYING make[1]: Leaving directory '/build/reproducible-path/libgridxc-2.1.0/obj-i686-linux-gnu' dh_installdocs -O--buildsystem=cmake @@ -9819,12 +9855,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/39242/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/39242/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/29650 and its subdirectories -I: Current time: Mon Mar 31 20:38:27 -12 2025 -I: pbuilder-time-stamp: 1743496707 +I: removing directory /srv/workspace/pbuilder/39242 and its subdirectories +I: Current time: Tue May 5 05:02:33 +14 2026 +I: pbuilder-time-stamp: 1777906953