Diff of the two buildlogs: -- --- b1/build.log 2025-09-04 03:21:05.059341052 +0000 +++ b2/build.log 2025-09-03 11:20:57.628834294 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue Oct 6 05:43:58 -12 2026 -I: pbuilder-time-stamp: 1791308638 +I: Current time: Wed Sep 3 09:21:59 +14 2025 +I: pbuilder-time-stamp: 1756840919 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/forky-reproducible-base.tgz] I: copying local configuration @@ -29,53 +29,85 @@ dpkg-source: info: applying set_madness_revision_eee5fd9f.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3974133/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/1669770/tmp/hooks/D01_modify_environment starting +debug: Running on ionos11-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Sep 2 19:22 /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/1669770/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/1669770/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' - DISTRIBUTION='forky' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=40 ' + DIRSTACK=() + DISTRIBUTION=forky + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='ba0d8500da244163b2c003f1966517dc' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3974133' - PS1='# ' - PS2='> ' + INVOCATION_ID=f559f7496e0c4846a4dc52a8cc4cd67b + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=1669770 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.l4MhRnfJ/pbuilderrc_d2S4 --distribution forky --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.l4MhRnfJ/b1 --logfile b1/build.log madness_0.10.1+git20200818.eee5fd9f-3.dsc' - SUDO_GID='110' - SUDO_HOME='/var/lib/jenkins' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.l4MhRnfJ/pbuilderrc_B9tz --distribution forky --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.l4MhRnfJ/b2 --logfile b2/build.log madness_0.10.1+git20200818.eee5fd9f-3.dsc' + SUDO_GID=111 + SUDO_HOME=/var/lib/jenkins + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos5-amd64 6.12.41+deb13-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.41-1 (2025-08-12) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.12.41+deb13-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.41-1 (2025-08-12) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 10 2025 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3974133/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 10 12:30 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/1669770/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -246,7 +278,7 @@ Get: 117 http://deb.debian.org/debian forky/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 118 http://deb.debian.org/debian forky/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 119 http://deb.debian.org/debian forky/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB] -Fetched 154 MB in 6s (26.3 MB/s) +Fetched 154 MB in 21s (7426 kB/s) Preconfiguring packages ... Selecting previously unselected package libexpat1:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19897 files and directories currently installed.) @@ -642,8 +674,8 @@ Setting up tzdata (2025b-5) ... Current default time zone: 'Etc/UTC' -Local time is now: Tue Oct 6 17:45:00 UTC 2026. -Universal Time is now: Tue Oct 6 17:45:00 UTC 2026. +Local time is now: Tue Sep 2 19:24:04 UTC 2025. +Universal Time is now: Tue Sep 2 19:24:04 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20240727.1) ... @@ -756,7 +788,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/ && 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 > ../madness_0.10.1+git20200818.eee5fd9f-3_source.changes +I: user script /srv/workspace/pbuilder/1669770/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for forky +I: user script /srv/workspace/pbuilder/1669770/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/ && 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 > ../madness_0.10.1+git20200818.eee5fd9f-3_source.changes dpkg-buildpackage: info: source package madness dpkg-buildpackage: info: source version 0.10.1+git20200818.eee5fd9f-3 dpkg-buildpackage: info: source distribution unstable @@ -1088,8 +1124,8 @@ * PCM * CUDA --- Configuring done (5.7s) --- Generating done (0.4s) +-- Configuring done (22.8s) +-- Generating done (0.6s) CMake Warning: Manually-specified variables were not used by the project: @@ -1105,7 +1141,7 @@ -- Build files have been written to: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu make[1]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f' dh_auto_build -O--buildsystem=cmake - cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j40 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f -B/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -1113,148 +1149,139 @@ make[2]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/mra/CMakeFiles/MADmra-obj.dir/build.make src/madness/mra/CMakeFiles/MADmra-obj.dir/depend make -f src/madness/world/CMakeFiles/MADworld-obj.dir/build.make src/madness/world/CMakeFiles/MADworld-obj.dir/depend -make -f src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/build.make src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/depend -make -f src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/build.make src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/CMakeFiles/MADmra-obj.dir/DependInfo.cmake "--color=" -make -f src/madness/misc/CMakeFiles/MADmisc-obj.dir/build.make src/madness/misc/CMakeFiles/MADmisc-obj.dir/depend -make -f src/madness/tensor/CMakeFiles/MADtensor-obj.dir/build.make src/madness/tensor/CMakeFiles/MADtensor-obj.dir/depend -make -f src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/build.make src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/depend +make -f src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/build.make src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/depend +make -f src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/build.make src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/CMakeFiles/MADworld-obj.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make -f src/madness/misc/CMakeFiles/MADmisc-obj.dir/build.make src/madness/misc/CMakeFiles/MADmisc-obj.dir/depend +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/DependInfo.cmake "--color=" +make -f src/madness/tensor/CMakeFiles/MADtensor-obj.dir/build.make src/madness/tensor/CMakeFiles/MADtensor-obj.dir/depend +make -f src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/build.make src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/depend make -f src/madness/external/gtest/CMakeFiles/MADgtest.dir/build.make src/madness/external/gtest/CMakeFiles/MADgtest.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/CMakeFiles/MADmisc-obj.dir/DependInfo.cmake "--color=" -make -f src/madness/misc/CMakeFiles/mgit-madness.dir/build.make src/madness/misc/CMakeFiles/mgit-madness.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor/CMakeFiles/MADtensor-obj.dir/DependInfo.cmake "--color=" -make -f src/apps/chem/CMakeFiles/MADchem-obj.dir/build.make src/apps/chem/CMakeFiles/MADchem-obj.dir/depend +make -f src/madness/misc/CMakeFiles/mgit-madness.dir/build.make src/madness/misc/CMakeFiles/mgit-madness.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/gtest /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest/CMakeFiles/MADgtest.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu 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src/apps/chem/CMakeFiles/MADchem-obj.dir/build.make src/apps/chem/CMakeFiles/MADchem-obj.dir/depend cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/CMakeFiles/mgit-madness.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/build +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/CMakeFiles/MADchem-obj.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make -f src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/build.make src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/build +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make -f src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/build.make src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/build +make -f src/madness/tensor/CMakeFiles/MADtensor-obj.dir/build.make src/madness/tensor/CMakeFiles/MADtensor-obj.dir/build make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make -f src/madness/misc/CMakeFiles/MADmisc-obj.dir/build.make src/madness/misc/CMakeFiles/MADmisc-obj.dir/build +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/mra/CMakeFiles/MADmra-obj.dir/build.make src/madness/mra/CMakeFiles/MADmra-obj.dir/build make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make -f src/madness/world/CMakeFiles/MADworld-obj.dir/build.make src/madness/world/CMakeFiles/MADworld-obj.dir/build +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make -f src/madness/misc/CMakeFiles/mgit-madness.dir/build.make src/madness/misc/CMakeFiles/mgit-madness.dir/build make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/build.make src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/build -make -f src/madness/misc/CMakeFiles/MADmisc-obj.dir/build.make src/madness/misc/CMakeFiles/MADmisc-obj.dir/build -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make -f src/madness/tensor/CMakeFiles/MADtensor-obj.dir/build.make src/madness/tensor/CMakeFiles/MADtensor-obj.dir/build -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make -f src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/build.make src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/build make -f src/madness/external/gtest/CMakeFiles/MADgtest.dir/build.make src/madness/external/gtest/CMakeFiles/MADgtest.dir/build make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make -f src/madness/misc/CMakeFiles/mgit-madness.dir/build.make src/madness/misc/CMakeFiles/mgit-madness.dir/build make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 3%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/lapack.cc.o +[ 3%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/apps/chem/CMakeFiles/MADchem-obj.dir/build.make src/apps/chem/CMakeFiles/MADchem-obj.dir/build +cd 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-I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/lapack.cc.o -MF CMakeFiles/MADlinalg-obj.dir/lapack.cc.o.d -o CMakeFiles/MADlinalg-obj.dir/lapack.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/lapack.cc +[ 6%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinystr.cc.o make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make[3]: Entering directory 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object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxml.cc.o [ 6%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra2.cc.o -[ 9%] Building CXX object src/madness/external/gtest/CMakeFiles/MADgtest.dir/gtest-all.cc.o -[ 9%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra5.cc.o -[ 9%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/position_stream.cc.o -[ 9%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/madness_exception.cc.o -[ 9%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o -[ 9%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o -[ 15%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/gprofexit.cc.o -[ 18%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/lapack.cc.o -[ 18%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensoriter.cc.o -[ 18%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/world.cc.o -[ 18%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/legendre.cc.o -[ 25%] generating the gitversion file -[ 25%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra6.cc.o -[ 25%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/timers.cc.o -[ 31%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/cfft.cc.o -[ 31%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o -[ 31%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/startup.cc.o -[ 31%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o -[ 31%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/ran.cc.o -[ 31%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/future.cc.o -[ 31%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserError.cpp.o -[ 31%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/redirectio.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o -MF CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o.d -o CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser/muParserBase.cpp +[ 6%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra1.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra1.cc.o -MF CMakeFiles/MADmra-obj.dir/mra1.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra1.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra1.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinystr.cc.o -MF CMakeFiles/MADtinyxml-obj.dir/tinystr.cc.o.d -o CMakeFiles/MADtinyxml-obj.dir/tinystr.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml/tinystr.cc -[ 31%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/vmath.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra5.cc.o -MF CMakeFiles/MADmra-obj.dir/mra5.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra5.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra5.cc -[ 31%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/elem.cc.o -[ 31%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/solvers.cc.o -[ 34%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/gtest -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/gtest/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/gtest/CMakeFiles/MADgtest.dir/gtest-all.cc.o -MF CMakeFiles/MADgtest.dir/gtest-all.cc.o.d -o CMakeFiles/MADgtest.dir/gtest-all.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/gtest/gtest-all.cc -[ 34%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/archive_type_names.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/misc/CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o -MF CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o.d -o CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/checksum_file.cc +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra2.cc.o -MF CMakeFiles/MADmra-obj.dir/mra2.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra2.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra2.cc cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxml.cc.o -MF CMakeFiles/MADtinyxml-obj.dir/tinyxml.cc.o.d -o CMakeFiles/MADtinyxml-obj.dir/tinyxml.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml/tinyxml.cc +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/misc/CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o -MF CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o.d -o CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/checksum_file.cc +[ 9%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/archive_type_names.cc.o +[ 9%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/cfft.cc.o +[ 9%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/madness_exception.cc.o +[ 9%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/solvers.cc.o +[ 9%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/vmath.cc.o +[ 12%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o +[ 12%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensor.cc.o +[ 15%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/timers.cc.o +[ 15%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/redirectio.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/misc/CMakeFiles/MADmisc-obj.dir/cfft.cc.o -MF CMakeFiles/MADmisc-obj.dir/cfft.cc.o.d -o CMakeFiles/MADmisc-obj.dir/cfft.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/cfft.cc +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/archive_type_names.cc.o -MF CMakeFiles/MADworld-obj.dir/archive_type_names.cc.o.d -o CMakeFiles/MADworld-obj.dir/archive_type_names.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/archive_type_names.cc +[ 15%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADtensor-obj.dir/vmath.cc.o -MF CMakeFiles/MADtensor-obj.dir/vmath.cc.o.d -o CMakeFiles/MADtensor-obj.dir/vmath.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/vmath.cc +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/solvers.cc.o -MF CMakeFiles/MADlinalg-obj.dir/solvers.cc.o.d -o CMakeFiles/MADlinalg-obj.dir/solvers.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/solvers.cc +[ 15%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/basetensor.cc.o +[ 15%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/world.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o -MF CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o.d -o CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml/tinyxmlparser.cc +[ 15%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADtensor-obj.dir/basetensor.cc.o -MF CMakeFiles/MADtensor-obj.dir/basetensor.cc.o.d -o CMakeFiles/MADtensor-obj.dir/basetensor.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/basetensor.cc +[ 15%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/future.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o -MF CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o.d -o CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser/muParserBytecode.cpp +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensor.cc.o -MF CMakeFiles/MADtensor-obj.dir/tensor.cc.o.d -o CMakeFiles/MADtensor-obj.dir/tensor.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/tensor.cc +[ 15%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserError.cpp.o +[ 15%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/info.cc.o +[ 15%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/position_stream.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o -MF CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o.d -o CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml/tinyxmlerror.cc +[ 21%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensoriter.cc.o +[ 21%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/linalg_wrappers.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/madness_exception.cc.o -MF CMakeFiles/MADworld-obj.dir/madness_exception.cc.o.d -o CMakeFiles/MADworld-obj.dir/madness_exception.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/madness_exception.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o -MF CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o.d -o CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml/tinyxmlparser.cc -cd 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-I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensoriter.cc.o -MF CMakeFiles/MADtensor-obj.dir/tensoriter.cc.o.d -o CMakeFiles/MADtensor-obj.dir/tensoriter.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/tensoriter.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/misc/CMakeFiles/MADmisc-obj.dir/gprofexit.cc.o -MF CMakeFiles/MADmisc-obj.dir/gprofexit.cc.o.d -o CMakeFiles/MADmisc-obj.dir/gprofexit.cc.o -c 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-I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra2.cc.o -MF CMakeFiles/MADmra-obj.dir/mra2.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra2.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra2.cc +[ 21%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/elem.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/misc/CMakeFiles/MADmisc-obj.dir/position_stream.cc.o -MF CMakeFiles/MADmisc-obj.dir/position_stream.cc.o.d -o CMakeFiles/MADmisc-obj.dir/position_stream.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/position_stream.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/lapack.cc.o -MF CMakeFiles/MADlinalg-obj.dir/lapack.cc.o.d -o CMakeFiles/MADlinalg-obj.dir/lapack.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/lapack.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/misc/CMakeFiles/MADmisc-obj.dir/ran.cc.o -MF CMakeFiles/MADmisc-obj.dir/ran.cc.o.d -o CMakeFiles/MADmisc-obj.dir/ran.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/ran.cc -[ 37%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensor.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o -MF 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/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADtensor-obj.dir/vmath.cc.o -MF CMakeFiles/MADtensor-obj.dir/vmath.cc.o.d -o CMakeFiles/MADtensor-obj.dir/vmath.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/vmath.cc -[ 37%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/info.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 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Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/ran.cc.o +[ 28%] generating the gitversion file +[ 31%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/gprofexit.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. 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-I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/qmprop.cc.o -MF CMakeFiles/MADmra-obj.dir/qmprop.cc.o.d -o CMakeFiles/MADmra-obj.dir/qmprop.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/qmprop.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o -MF CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o.d -o CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml/tinyxmlerror.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 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-I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/twoscale.cc.o -MF CMakeFiles/MADmra-obj.dir/twoscale.cc.o.d -o CMakeFiles/MADmra-obj.dir/twoscale.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/twoscale.cc +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/cmake -Dlocal_dir="/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/cmake/" -Doutput_dir="/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc" -Dsource_dir="/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc" -P /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/cmake/git_version.cmake +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra3.cc.o -MF CMakeFiles/MADmra-obj.dir/mra3.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra3.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra3.cc +[ 31%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o +cd 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-ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o -MF CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o.d -o CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser/muParserBase.cpp +[ 34%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra4.cc.o +[ 37%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/print.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" 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-I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra4.cc.o -MF CMakeFiles/MADmra-obj.dir/mra4.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra4.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra4.cc +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/print.cc.o -MF CMakeFiles/MADworld-obj.dir/print.cc.o.d -o CMakeFiles/MADworld-obj.dir/print.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/print.cc +[ 37%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o -MF CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o.d -o CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser/muParser.cpp +[ 40%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o +[ 40%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/debug.cc.o +[ 40%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o -MF CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o.d -o CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser/muParserCallback.cpp +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/debug.cc.o -MF CMakeFiles/MADworld-obj.dir/debug.cc.o.d -o CMakeFiles/MADworld-obj.dir/debug.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/debug.cc CMake Deprecation Warning at /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/cmake/git_version.cmake:1 (cmake_minimum_required): Compatibility with CMake < 3.10 will be removed from a future version of CMake. @@ -1265,136 +1292,145 @@ -- Resolving GIT Version +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/c++ -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o -MF CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o.d -o CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser/muParserTokenReader.cpp +[ 43%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/correlationfactor.cc.o -- Could NOT find Git (missing: GIT_EXECUTABLE) Hint: The project() command has not yet been called. It sets up system-specific search paths. -- GIT not found -- cannot find file /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/gitversion.h -- creating file /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/gitversion.h -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 43%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/linalg_wrappers.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/linalg_wrappers.cc.o -MF CMakeFiles/MADlinalg-obj.dir/linalg_wrappers.cc.o.d -o CMakeFiles/MADlinalg-obj.dir/linalg_wrappers.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/linalg_wrappers.cc +[ 43%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra5.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/correlationfactor.cc.o -MF CMakeFiles/MADchem-obj.dir/correlationfactor.cc.o.d -o CMakeFiles/MADchem-obj.dir/correlationfactor.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/correlationfactor.cc +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra5.cc.o -MF CMakeFiles/MADmra-obj.dir/mra5.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra5.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra5.cc [ 43%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/molecule.cc.o -[ 43%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/debug.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/debug.cc.o -MF CMakeFiles/MADworld-obj.dir/debug.cc.o.d -o CMakeFiles/MADworld-obj.dir/debug.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/debug.cc cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/molecule.cc.o -MF CMakeFiles/MADchem-obj.dir/molecule.cc.o.d -o CMakeFiles/MADchem-obj.dir/molecule.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/molecule.cc -[ 43%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o -MF CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o.d -o CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/molecularbasis.cc -[ 43%] Built target mgit-madness -[ 46%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/print.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/print.cc.o -MF CMakeFiles/MADworld-obj.dir/print.cc.o.d -o CMakeFiles/MADworld-obj.dir/print.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/print.cc -[ 46%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldmem.cc.o +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 43%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldmem.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldmem.cc.o -MF CMakeFiles/MADworld-obj.dir/worldmem.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldmem.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldmem.cc -/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/startup.cc:189:53: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time] - 189 | print(" compiled ...",__TIME__," on ",__DATE__); - | ^~~~~~~~ -/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/startup.cc:189:69: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time] - 189 | print(" compiled ...",__TIME__," on ",__DATE__); - | ^~~~~~~~ -[ 46%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldrmi.cc.o +[ 43%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldrmi.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldrmi.cc.o -MF CMakeFiles/MADworld-obj.dir/worldrmi.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldrmi.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldrmi.cc +[ 43%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/safempi.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/safempi.cc.o -MF CMakeFiles/MADworld-obj.dir/safempi.cc.o.d -o CMakeFiles/MADworld-obj.dir/safempi.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/safempi.cc +[ 43%] Built target mgit-madness +[ 43%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra6.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/mra6.cc.o -MF CMakeFiles/MADmra-obj.dir/mra6.cc.o.d -o CMakeFiles/MADmra-obj.dir/mra6.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra6.cc +[ 46%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/startup.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/startup.cc.o -MF CMakeFiles/MADmra-obj.dir/startup.cc.o.d -o CMakeFiles/MADmra-obj.dir/startup.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/startup.cc +[ 50%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldpapi.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldpapi.cc.o -MF CMakeFiles/MADworld-obj.dir/worldpapi.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldpapi.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldpapi.cc make -f src/madness/misc/CMakeFiles/MADgit-obj.dir/build.make src/madness/misc/CMakeFiles/MADgit-obj.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/CMakeFiles/MADgit-obj.dir/DependInfo.cmake "--color=" -[ 50%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/vibanal.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/vibanal.cc.o -MF CMakeFiles/MADchem-obj.dir/vibanal.cc.o.d -o CMakeFiles/MADchem-obj.dir/vibanal.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/vibanal.cc -[ 50%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/safempi.cc.o make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 50%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/corepotential.cc.o make -f src/madness/misc/CMakeFiles/MADgit-obj.dir/build.make src/madness/misc/CMakeFiles/MADgit-obj.dir/build -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/corepotential.cc.o -MF CMakeFiles/MADchem-obj.dir/corepotential.cc.o.d -o CMakeFiles/MADchem-obj.dir/corepotential.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/corepotential.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/safempi.cc.o -MF CMakeFiles/MADworld-obj.dir/safempi.cc.o.d -o CMakeFiles/MADworld-obj.dir/safempi.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/safempi.cc make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [ 50%] Building CXX object src/madness/misc/CMakeFiles/MADgit-obj.dir/gitinfo.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/misc/CMakeFiles/MADgit-obj.dir/gitinfo.cc.o -MF CMakeFiles/MADgit-obj.dir/gitinfo.cc.o.d -o CMakeFiles/MADgit-obj.dir/gitinfo.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/gitinfo.cc -[ 50%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/atomutil.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/atomutil.cc.o -MF CMakeFiles/MADchem-obj.dir/atomutil.cc.o.d -o CMakeFiles/MADchem-obj.dir/atomutil.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/atomutil.cc -[ 50%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/lda.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/lda.cc.o -MF CMakeFiles/MADchem-obj.dir/lda.cc.o.d -o CMakeFiles/MADchem-obj.dir/lda.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/lda.cc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/gitinfo.cc:23:20: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time] 23 | return __TIME__; | ^~~~~~~~ /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/gitinfo.cc:27:20: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time] 27 | return __DATE__; | ^~~~~~~~ -[ 53%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldpapi.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldpapi.cc.o -MF CMakeFiles/MADworld-obj.dir/worldpapi.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldpapi.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldpapi.cc -[ 56%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/distpm.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/distpm.cc.o -MF CMakeFiles/MADchem-obj.dir/distpm.cc.o.d -o CMakeFiles/MADchem-obj.dir/distpm.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/distpm.cc -[ 56%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldref.cc.o +/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/startup.cc:189:53: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time] + 189 | print(" compiled ...",__TIME__," on ",__DATE__); + | ^~~~~~~~ +/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/startup.cc:189:69: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time] + 189 | print(" compiled ...",__TIME__," on ",__DATE__); + | ^~~~~~~~ +[ 50%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/legendre.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/legendre.cc.o -MF CMakeFiles/MADmra-obj.dir/legendre.cc.o.d -o CMakeFiles/MADmra-obj.dir/legendre.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/legendre.cc +[ 50%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o -MF CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o.d -o CMakeFiles/MADchem-obj.dir/molecularbasis.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/molecularbasis.cc +[ 50%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/twoscale.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/twoscale.cc.o -MF CMakeFiles/MADmra-obj.dir/twoscale.cc.o.d -o CMakeFiles/MADmra-obj.dir/twoscale.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/twoscale.cc +[ 53%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/vibanal.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/vibanal.cc.o -MF CMakeFiles/MADchem-obj.dir/vibanal.cc.o.d -o CMakeFiles/MADchem-obj.dir/vibanal.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/vibanal.cc +[ 53%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/qmprop.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_DATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/mra/CMakeFiles/MADmra-obj.dir/qmprop.cc.o -MF CMakeFiles/MADmra-obj.dir/qmprop.cc.o.d -o CMakeFiles/MADmra-obj.dir/qmprop.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/qmprop.cc +[ 53%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldref.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldref.cc.o -MF CMakeFiles/MADworld-obj.dir/worldref.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldref.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldref.cc -[ 56%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldam.cc.o +[ 53%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldam.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldam.cc.o -MF CMakeFiles/MADworld-obj.dir/worldam.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldam.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldam.cc -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 56%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/SCF.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor 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/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/SCF.cc -[ 59%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldprofile.cc.o +[ 56%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldprofile.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldprofile.cc.o -MF CMakeFiles/MADworld-obj.dir/worldprofile.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldprofile.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldprofile.cc +[ 56%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/corepotential.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor 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CMakeFiles/MADchem-obj.dir/corepotential.cc.o.d -o CMakeFiles/MADchem-obj.dir/corepotential.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/corepotential.cc +[ 56%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/thread.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/thread.cc.o -MF CMakeFiles/MADworld-obj.dir/thread.cc.o.d -o CMakeFiles/MADworld-obj.dir/thread.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/thread.cc +[ 56%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/atomutil.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/atomutil.cc.o -MF CMakeFiles/MADchem-obj.dir/atomutil.cc.o.d -o CMakeFiles/MADchem-obj.dir/atomutil.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/atomutil.cc +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 56%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/lda.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/lda.cc.o -MF CMakeFiles/MADchem-obj.dir/lda.cc.o.d -o CMakeFiles/MADchem-obj.dir/lda.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/lda.cc +[ 56%] Built target MADgit-obj +[ 56%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o +cd 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src/madness/world/CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o -MF CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o.d -o CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/world_task_queue.cc +[ 59%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/distpm.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/distpm.cc.o -MF CMakeFiles/MADchem-obj.dir/distpm.cc.o.d -o CMakeFiles/MADchem-obj.dir/distpm.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/distpm.cc +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [ 59%] Built target MADtensor-obj +[ 59%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/SCF.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/SCF.cc.o -MF CMakeFiles/MADchem-obj.dir/SCF.cc.o.d -o CMakeFiles/MADchem-obj.dir/SCF.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/SCF.cc +[ 59%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldgop.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldgop.cc.o -MF CMakeFiles/MADworld-obj.dir/worldgop.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldgop.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldgop.cc [ 59%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/gth_pseudopotential.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/gth_pseudopotential.cc.o -MF CMakeFiles/MADchem-obj.dir/gth_pseudopotential.cc.o.d -o CMakeFiles/MADchem-obj.dir/gth_pseudopotential.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/gth_pseudopotential.cc [ 62%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/nemo.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/nemo.cc.o -MF CMakeFiles/MADchem-obj.dir/nemo.cc.o.d -o CMakeFiles/MADchem-obj.dir/nemo.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/nemo.cc -[ 62%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/thread.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/thread.cc.o -MF CMakeFiles/MADworld-obj.dir/thread.cc.o.d -o CMakeFiles/MADworld-obj.dir/thread.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/thread.cc -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 62%] Built target MADmisc-obj -[ 62%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o -MF CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o.d -o CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/world_task_queue.cc -[ 62%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldgop.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldgop.cc.o -MF CMakeFiles/MADworld-obj.dir/worldgop.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldgop.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldgop.cc [ 62%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/mp2.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/mp2.cc.o -MF CMakeFiles/MADchem-obj.dir/mp2.cc.o.d -o CMakeFiles/MADchem-obj.dir/mp2.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/mp2.cc +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 62%] Built target MADmisc-obj [ 65%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/deferred_cleanup.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/deferred_cleanup.cc.o -MF CMakeFiles/MADworld-obj.dir/deferred_cleanup.cc.o.d -o CMakeFiles/MADworld-obj.dir/deferred_cleanup.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/deferred_cleanup.cc -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [ 65%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/pcm.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/pcm.cc.o -MF CMakeFiles/MADchem-obj.dir/pcm.cc.o.d -o CMakeFiles/MADchem-obj.dir/pcm.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/pcm.cc -[ 65%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldmutex.cc.o -[ 65%] Built target MADgit-obj -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldmutex.cc.o -MF CMakeFiles/MADworld-obj.dir/worldmutex.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldmutex.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldmutex.cc [ 65%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/SCFOperators.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/SCFOperators.cc.o -MF CMakeFiles/MADchem-obj.dir/SCFOperators.cc.o.d -o CMakeFiles/MADchem-obj.dir/SCFOperators.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/SCFOperators.cc -[ 68%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/TDHF.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/TDHF.cc.o -MF CMakeFiles/MADchem-obj.dir/TDHF.cc.o.d -o CMakeFiles/MADchem-obj.dir/TDHF.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/TDHF.cc -[ 68%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o -MF CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o.d -o CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/binary_fstream_archive.cc -[ 71%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o -MF CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o.d -o CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/text_fstream_archive.cc -[ 71%] Building C object src/madness/world/CMakeFiles/MADworld-obj.dir/lookup3.c.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/cc -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/lookup3.c.o -MF CMakeFiles/MADworld-obj.dir/lookup3.c.o.d -o CMakeFiles/MADworld-obj.dir/lookup3.c.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/lookup3.c -[ 71%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/GuessFactory.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/GuessFactory.cc.o -MF CMakeFiles/MADchem-obj.dir/GuessFactory.cc.o.d -o CMakeFiles/MADchem-obj.dir/GuessFactory.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/GuessFactory.cc +[ 65%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldmutex.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldmutex.cc.o -MF CMakeFiles/MADworld-obj.dir/worldmutex.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldmutex.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldmutex.cc make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 71%] Built target MADtinyxml-obj -[ 71%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldmpi.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldmpi.cc.o -MF CMakeFiles/MADworld-obj.dir/worldmpi.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldmpi.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldmpi.cc -[ 71%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/group.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/group.cc.o -MF CMakeFiles/MADworld-obj.dir/group.cc.o.d -o CMakeFiles/MADworld-obj.dir/group.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/group.cc +[ 65%] Built target MADtinyxml-obj +[ 65%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o -MF CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o.d -o CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/binary_fstream_archive.cc make -f src/madness/external/tinyxml/CMakeFiles/MADtinyxml.dir/build.make src/madness/external/tinyxml/CMakeFiles/MADtinyxml.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml/CMakeFiles/MADtinyxml.dir/DependInfo.cmake "--color=" -[ 71%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/CCStructures.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/CCStructures.cc.o -MF CMakeFiles/MADchem-obj.dir/CCStructures.cc.o.d -o CMakeFiles/MADchem-obj.dir/CCStructures.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CCStructures.cc make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/external/tinyxml/CMakeFiles/MADtinyxml.dir/build.make src/madness/external/tinyxml/CMakeFiles/MADtinyxml.dir/build make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 71%] Linking CXX static library libMADtinyxml.a +[ 65%] Linking CXX static library libMADtinyxml.a cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/cmake -P CMakeFiles/MADtinyxml.dir/cmake_clean_target.cmake cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADtinyxml.dir/link.txt --verbose=1 -[ 75%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/CC2.cc.o -[ 75%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o +[ 68%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/TDHF.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/TDHF.cc.o -MF CMakeFiles/MADchem-obj.dir/TDHF.cc.o.d -o CMakeFiles/MADchem-obj.dir/TDHF.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/TDHF.cc /usr/bin/ar qc libMADtinyxml.a "CMakeFiles/MADtinyxml-obj.dir/tinystr.cc.o" "CMakeFiles/MADtinyxml-obj.dir/tinyxml.cc.o" "CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o" "CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o" /usr/bin/ranlib libMADtinyxml.a -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o -MF CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o.d -o CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CCPotentials.cc -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/CC2.cc.o -MF CMakeFiles/MADchem-obj.dir/CC2.cc.o.d -o CMakeFiles/MADchem-obj.dir/CC2.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CC2.cc make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 75%] Built target MADtinyxml -[ 75%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/AC.cc.o -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/AC.cc.o -MF CMakeFiles/MADchem-obj.dir/AC.cc.o.d -o CMakeFiles/MADchem-obj.dir/AC.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/AC.cc -[ 78%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/parsec.cc.o +[ 68%] Built target MADtinyxml +[ 68%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/GuessFactory.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 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-I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o -MF CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o.d -o CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/text_fstream_archive.cc +[ 71%] Building C object src/madness/world/CMakeFiles/MADworld-obj.dir/lookup3.c.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/cc -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/lookup3.c.o -MF CMakeFiles/MADworld-obj.dir/lookup3.c.o.d -o CMakeFiles/MADworld-obj.dir/lookup3.c.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/lookup3.c +[ 71%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldmpi.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/worldmpi.cc.o -MF CMakeFiles/MADworld-obj.dir/worldmpi.cc.o.d -o CMakeFiles/MADworld-obj.dir/worldmpi.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldmpi.cc +[ 71%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/group.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/group.cc.o -MF CMakeFiles/MADworld-obj.dir/group.cc.o.d -o CMakeFiles/MADworld-obj.dir/group.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/group.cc +[ 71%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/CCStructures.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/CCStructures.cc.o -MF CMakeFiles/MADchem-obj.dir/CCStructures.cc.o.d -o CMakeFiles/MADchem-obj.dir/CCStructures.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CCStructures.cc +[ 75%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/parsec.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/parsec.cc.o -MF CMakeFiles/MADworld-obj.dir/parsec.cc.o.d -o CMakeFiles/MADworld-obj.dir/parsec.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parsec.cc -[ 78%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/archive.cc.o +[ 75%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/archive.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/usr/lib/x86_64-linux-gnu/mpich/include -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/madness/world/CMakeFiles/MADworld-obj.dir/archive.cc.o -MF CMakeFiles/MADworld-obj.dir/archive.cc.o.d -o CMakeFiles/MADworld-obj.dir/archive.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/archive.cc +[ 78%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/CC2.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/CC2.cc.o -MF CMakeFiles/MADchem-obj.dir/CC2.cc.o.d -o CMakeFiles/MADchem-obj.dir/CC2.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CC2.cc +[ 78%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o -MF CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o.d -o CMakeFiles/MADchem-obj.dir/CCPotentials.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CCPotentials.cc +[ 78%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/AC.cc.o +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/AC.cc.o -MF CMakeFiles/MADchem-obj.dir/AC.cc.o.d -o CMakeFiles/MADchem-obj.dir/AC.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/AC.cc [ 78%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/pointgroupsymmetry.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/pointgroupsymmetry.cc.o -MF CMakeFiles/MADchem-obj.dir/pointgroupsymmetry.cc.o.d -o CMakeFiles/MADchem-obj.dir/pointgroupsymmetry.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/pointgroupsymmetry.cc [ 81%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/znemo.cc.o @@ -1422,6 +1458,17 @@ [ 90%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/xcfunctional_libxc.cc.o cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/lib/x86_64-linux-gnu/mpich/include/mpi.h\" -DMAD_ROOT_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f\" -DMPICH_SKIP_MPICXX=1 -DMRA_CHEMDATA_DIR=\"/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem\" -DOMPI_SKIP_MPICXX=1 -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps -I/usr/lib/x86_64-linux-gnu/mpich/include -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/tinyxml -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra -I/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 -std=c++17 -fPIC -MD -MT src/apps/chem/CMakeFiles/MADchem-obj.dir/xcfunctional_libxc.cc.o -MF CMakeFiles/MADchem-obj.dir/xcfunctional_libxc.cc.o.d -o CMakeFiles/MADchem-obj.dir/xcfunctional_libxc.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/xcfunctional_libxc.cc make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 90%] Built target MADworld-obj +make -f src/madness/world/CMakeFiles/MADworld.dir/build.make src/madness/world/CMakeFiles/MADworld.dir/depend +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/CMakeFiles/MADworld.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make -f src/madness/world/CMakeFiles/MADworld.dir/build.make src/madness/world/CMakeFiles/MADworld.dir/build +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 90%] Linking CXX static library libMADworld.a +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/cmake -P CMakeFiles/MADworld.dir/cmake_clean_target.cmake +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADworld.dir/link.txt --verbose=1 +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [ 90%] Built target MADmuparser-obj make -f src/madness/external/muParser/CMakeFiles/MADmuparser.dir/build.make src/madness/external/muParser/CMakeFiles/MADmuparser.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' @@ -1432,56 +1479,45 @@ [ 93%] Linking CXX static library libMADmuparser.a cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/cmake -P CMakeFiles/MADmuparser.dir/cmake_clean_target.cmake cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/muParser && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADmuparser.dir/link.txt --verbose=1 -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -/usr/bin/ar qc libMADmuparser.a "CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserError.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o" -/usr/bin/ranlib libMADmuparser.a -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 93%] Built target MADmuparser -[ 93%] Built target MADworld-obj -make -f src/madness/world/CMakeFiles/MADworld.dir/build.make src/madness/world/CMakeFiles/MADworld.dir/depend -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/CMakeFiles/MADworld.dir/DependInfo.cmake "--color=" -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make -f src/madness/world/CMakeFiles/MADworld.dir/build.make src/madness/world/CMakeFiles/MADworld.dir/build -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 93%] Linking CXX static library libMADworld.a -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/cmake -P CMakeFiles/MADworld.dir/cmake_clean_target.cmake -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADworld.dir/link.txt --verbose=1 /usr/bin/ar qc libMADworld.a "CMakeFiles/MADworld-obj.dir/madness_exception.cc.o" "CMakeFiles/MADworld-obj.dir/world.cc.o" "CMakeFiles/MADworld-obj.dir/timers.cc.o" "CMakeFiles/MADworld-obj.dir/future.cc.o" "CMakeFiles/MADworld-obj.dir/redirectio.cc.o" "CMakeFiles/MADworld-obj.dir/archive_type_names.cc.o" "CMakeFiles/MADworld-obj.dir/info.cc.o" "CMakeFiles/MADworld-obj.dir/debug.cc.o" "CMakeFiles/MADworld-obj.dir/print.cc.o" "CMakeFiles/MADworld-obj.dir/worldmem.cc.o" "CMakeFiles/MADworld-obj.dir/worldrmi.cc.o" "CMakeFiles/MADworld-obj.dir/safempi.cc.o" "CMakeFiles/MADworld-obj.dir/worldpapi.cc.o" "CMakeFiles/MADworld-obj.dir/worldref.cc.o" "CMakeFiles/MADworld-obj.dir/worldam.cc.o" "CMakeFiles/MADworld-obj.dir/worldprofile.cc.o" "CMakeFiles/MADworld-obj.dir/thread.cc.o" "CMakeFiles/MADworld-obj.dir/world_task_queue.cc.o" "CMakeFiles/MADworld-obj.dir/worldgop.cc.o" "CMakeFiles/MADworld-obj.dir/deferred_cleanup.cc.o" "CMakeFiles/MADworld-obj.dir/worldmutex.cc.o" "CMakeFiles/MADworld-obj.dir/binary_fstream_archive.cc.o" "CMakeFiles/MADworld-obj.dir/text_fstream_archive.cc.o" "CMakeFiles/MADworld-obj.dir/lookup3.c.o" "CMakeFiles/MADworld-obj.dir/worldmpi.cc.o" "CMakeFiles/MADworld-obj.dir/group.cc.o" "CMakeFiles/MADworld-obj.dir/parsec.cc.o" "CMakeFiles/MADworld-obj.dir/archive.cc.o" /usr/bin/ranlib libMADworld.a make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [ 93%] Built target MADworld make -f src/madness/misc/CMakeFiles/MADmisc.dir/build.make src/madness/misc/CMakeFiles/MADmisc.dir/depend -make -f src/madness/misc/CMakeFiles/MADgit.dir/build.make src/madness/misc/CMakeFiles/MADgit.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/CMakeFiles/MADmisc.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/CMakeFiles/MADgit.dir/DependInfo.cmake "--color=" -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/misc/CMakeFiles/MADmisc.dir/build.make src/madness/misc/CMakeFiles/MADmisc.dir/build -make -f src/madness/misc/CMakeFiles/MADgit.dir/build.make src/madness/misc/CMakeFiles/MADgit.dir/build -make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [ 93%] Linking CXX static library libMADmisc.a -[ 93%] Linking CXX static library libMADgit.a -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/cmake -P CMakeFiles/MADgit.dir/cmake_clean_target.cmake cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/cmake -P CMakeFiles/MADmisc.dir/cmake_clean_target.cmake -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADgit.dir/link.txt --verbose=1 cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADmisc.dir/link.txt --verbose=1 /usr/bin/ar qc libMADmisc.a "CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o" "CMakeFiles/MADmisc-obj.dir/position_stream.cc.o" "CMakeFiles/MADmisc-obj.dir/gprofexit.cc.o" "CMakeFiles/MADmisc-obj.dir/ran.cc.o" "CMakeFiles/MADmisc-obj.dir/cfft.cc.o" /usr/bin/ranlib libMADmisc.a -/usr/bin/ar qc libMADgit.a "CMakeFiles/MADgit-obj.dir/gitinfo.cc.o" -/usr/bin/ranlib libMADgit.a -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 93%] Built target MADgit [ 93%] Built target MADmisc +make -f src/madness/misc/CMakeFiles/MADgit.dir/build.make src/madness/misc/CMakeFiles/MADgit.dir/depend +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc/CMakeFiles/MADgit.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make -f src/madness/misc/CMakeFiles/MADgit.dir/build.make src/madness/misc/CMakeFiles/MADgit.dir/build +make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 93%] Linking CXX static library libMADgit.a +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/cmake -P CMakeFiles/MADgit.dir/cmake_clean_target.cmake +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADgit.dir/link.txt --verbose=1 +/usr/bin/ar qc libMADmuparser.a "CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParser.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserError.cpp.o" "CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o" +/usr/bin/ranlib libMADmuparser.a +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 93%] Built target MADmuparser make -f src/madness/tensor/CMakeFiles/MADtensor.dir/build.make src/madness/tensor/CMakeFiles/MADtensor.dir/depend make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +/usr/bin/ar qc libMADgit.a "CMakeFiles/MADgit-obj.dir/gitinfo.cc.o" +/usr/bin/ranlib libMADgit.a +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor/CMakeFiles/MADtensor.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/tensor/CMakeFiles/MADtensor.dir/build.make src/madness/tensor/CMakeFiles/MADtensor.dir/build +[ 93%] Built target MADgit make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [ 96%] Linking CXX static library libMADtensor.a cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/cmake -P CMakeFiles/MADtensor.dir/cmake_clean_target.cmake @@ -1581,9 +1617,9 @@ In file included from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worlddc.h:46, from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/MADworld.h:47, from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra.h:44, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/nemo.h:47, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/oep.h:13, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/oep.cc:8: + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness.h:41, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/GuessFactory.h:13, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/zcis.cc:8: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h: In member function 'void madness::archive::BaseParallelArchive::open(madness::World&, const char*, int) [with Archive = madness::archive::BinaryFstreamOutputArchive]': /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h:158:33: warning: '.' directive writing 1 byte into a region of size between 0 and 255 [-Wformat-overflow=] 158 | sprintf(buf, "%s.%5.5d", filename, world.rank()); @@ -1625,9 +1661,9 @@ In file included from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worlddc.h:46, from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/MADworld.h:47, from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra/mra.h:44, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness.h:41, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/GuessFactory.h:13, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/zcis.cc:8: + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/nemo.h:47, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/oep.h:13, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/oep.cc:8: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h: In member function 'void madness::archive::BaseParallelArchive::open(madness::World&, const char*, int) [with Archive = madness::archive::BinaryFstreamOutputArchive]': /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h:158:33: warning: '.' directive writing 1 byte into a region of size between 0 and 255 [-Wformat-overflow=] 158 | sprintf(buf, "%s.%5.5d", filename, world.rank()); @@ -1940,17 +1976,17 @@ make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/mra /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/CMakeFiles/MADmra.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -make -f src/madness/CMakeFiles/madness.dir/build.make src/madness/CMakeFiles/madness.dir/build -make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/mra/CMakeFiles/MADmra.dir/build.make src/madness/mra/CMakeFiles/MADmra.dir/build +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +make -f src/madness/CMakeFiles/madness.dir/build.make src/madness/CMakeFiles/madness.dir/build make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [100%] Linking CXX static library libMADmra.a +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/cmake -P CMakeFiles/MADmra.dir/cmake_clean_target.cmake [100%] Linking CXX static library libmadness.a cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness && /usr/bin/cmake -P CMakeFiles/madness.dir/cmake_clean_target.cmake -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/cmake -P CMakeFiles/MADmra.dir/cmake_clean_target.cmake -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness && /usr/bin/cmake -E cmake_link_script CMakeFiles/madness.dir/link.txt --verbose=1 cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADmra.dir/link.txt --verbose=1 +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness && /usr/bin/cmake -E cmake_link_script CMakeFiles/madness.dir/link.txt --verbose=1 /usr/bin/ar qc libMADmra.a "CMakeFiles/MADmra-obj.dir/mra1.cc.o" "CMakeFiles/MADmra-obj.dir/mra2.cc.o" "CMakeFiles/MADmra-obj.dir/mra3.cc.o" "CMakeFiles/MADmra-obj.dir/mra4.cc.o" "CMakeFiles/MADmra-obj.dir/mra5.cc.o" "CMakeFiles/MADmra-obj.dir/mra6.cc.o" "CMakeFiles/MADmra-obj.dir/startup.cc.o" "CMakeFiles/MADmra-obj.dir/legendre.cc.o" "CMakeFiles/MADmra-obj.dir/twoscale.cc.o" "CMakeFiles/MADmra-obj.dir/qmprop.cc.o" /usr/bin/ranlib libMADmra.a make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' @@ -2386,7 +2422,7 @@ 1: gmake[4]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 1: gmake[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 1: - 1/56 Test #1: build_world_unittests ................... Passed 113.60 sec + 1/56 Test #1: build_world_unittests ................... Passed 123.75 sec test 2 Start 2: world-test_prof @@ -2472,7 +2508,7 @@ 3: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 3: Test timeout computed to be: 1500 3: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -3: rank=0 fn_ptr_origin=564090a2bf90 +3: rank=0 fn_ptr_origin=560a638aaf90 3: 3: testing binary fstream archive 3: 0 --> 1 --> 2 --> 3 @@ -2501,9 +2537,9 @@ 3: error in pi 0.000000e+00 3: error in e 0.000000e+00 3: Serialization appears to work. - 3/56 Test #3: world-test_ar ...........................***Timeout 1500.11 sec + 3/56 Test #3: world-test_ar ...........................***Timeout 1500.12 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -rank=0 fn_ptr_origin=564090a2bf90 +rank=0 fn_ptr_origin=560a638aaf90 testing binary fstream archive 0 --> 1 --> 2 --> 3 @@ -2559,7 +2595,7 @@ 5: Test timeout computed to be: 1500 5: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 5: Hello from 0 - 5/56 Test #5: world-test_hello ........................***Timeout 1500.11 sec + 5/56 Test #5: world-test_hello ........................***Timeout 1500.12 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 Hello from 0 @@ -2573,13 +2609,13 @@ 6: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 6: SUM 300000000 6: HI -6: SUM 10000000 - 6/56 Test #6: world-test_atomicint ....................***Timeout 1500.11 sec +6: SUM 10000001 + 6/56 Test #6: world-test_atomicint ....................***Timeout 1500.12 sec small test : 0 MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 SUM 300000000 HI -SUM 10000000 +SUM 10000001 test 7 Start 7: world-test_future @@ -2590,7 +2626,7 @@ 7: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 7: Helloab donea 7: MADNESS runtime finalized but 1 world still exists - 7/56 Test #7: world-test_future .......................***Timeout 1500.12 sec + 7/56 Test #7: world-test_future .......................***Timeout 1500.13 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 Helloab donea MADNESS runtime finalized but 1 world still exists @@ -2644,7 +2680,7 @@ 9: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 9: OK! 9: MADNESS runtime finalized but 1 world still exists - 9/56 Test #9: world-test_future3 ......................***Timeout 1500.12 sec + 9/56 Test #9: world-test_future3 ......................***Timeout 1500.17 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 OK! MADNESS runtime finalized but 1 world still exists @@ -2702,7 +2738,7 @@ 10: count after first fence 0 10: count after second fence 0 10: MADNESS runtime finalized but 1 world still exists -10/56 Test #10: world-test_dc ...........................***Timeout 1500.15 sec +10/56 Test #10: world-test_dc ...........................***Timeout 1500.12 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 count after constructor 0 count after making 300 @@ -2829,15 +2865,15 @@ 11: stride 11 11: stride 12 11: stride 13 -11: nbin= 100 nent= 100 insert=1.1e-07s/call del=7.5e-08s/call -11: nbin= 100 nent= 1000 insert=1.7e-07s/call del=1.1e-07s/call -11: nbin= 100 nent= 10000 insert=4.1e-06s/call del=4.0e-06s/call -11: nbin= 1000 nent= 1000 insert=1.1e-07s/call del=8.0e-08s/call -11: nbin= 1000 nent= 10000 insert=2.1e-07s/call del=1.8e-06s/call -11: nbin= 1000 nent= 100000 insert=1.8e-05s/call del=1.7e-05s/call -11: nbin= 10000 nent= 10000 insert=1.2e-07s/call del=2.1e-06s/call -11: nbin= 10000 nent= 100000 insert=3.1e-06s/call del=2.6e-06s/call -11: nbin= 10000 nent= 1000000 insert=1.3e-05s/call del=2.6e-05s/call +11: nbin= 100 nent= 100 insert=1.2e-07s/call del=8.2e-08s/call +11: nbin= 100 nent= 1000 insert=1.4e-07s/call del=1.1e-07s/call +11: nbin= 100 nent= 10000 insert=4.6e-06s/call del=3.8e-06s/call +11: nbin= 1000 nent= 1000 insert=1.1e-07s/call del=8.2e-08s/call +11: nbin= 1000 nent= 10000 insert=2.0e-07s/call del=2.6e-06s/call +11: nbin= 1000 nent= 100000 insert=3.8e-05s/call del=2.5e-05s/call +11: nbin= 10000 nent= 10000 insert=1.2e-07s/call del=5.7e-06s/call +11: nbin= 10000 nent= 100000 insert=1.9e-06s/call del=6.3e-07s/call +11: nbin= 10000 nent= 1000000 insert=6.2e-05s/call del=4.3e-05s/call 11: Things seem to be working! 11/56 Test #11: world-test_hashthreaded .................***Timeout 1500.12 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 @@ -2912,15 +2948,15 @@ stride 11 stride 12 stride 13 -nbin= 100 nent= 100 insert=1.1e-07s/call del=7.5e-08s/call -nbin= 100 nent= 1000 insert=1.7e-07s/call del=1.1e-07s/call -nbin= 100 nent= 10000 insert=4.1e-06s/call del=4.0e-06s/call -nbin= 1000 nent= 1000 insert=1.1e-07s/call del=8.0e-08s/call -nbin= 1000 nent= 10000 insert=2.1e-07s/call del=1.8e-06s/call -nbin= 1000 nent= 100000 insert=1.8e-05s/call del=1.7e-05s/call -nbin= 10000 nent= 10000 insert=1.2e-07s/call del=2.1e-06s/call -nbin= 10000 nent= 100000 insert=3.1e-06s/call del=2.6e-06s/call -nbin= 10000 nent= 1000000 insert=1.3e-05s/call del=2.6e-05s/call +nbin= 100 nent= 100 insert=1.2e-07s/call del=8.2e-08s/call +nbin= 100 nent= 1000 insert=1.4e-07s/call del=1.1e-07s/call +nbin= 100 nent= 10000 insert=4.6e-06s/call del=3.8e-06s/call +nbin= 1000 nent= 1000 insert=1.1e-07s/call del=8.2e-08s/call +nbin= 1000 nent= 10000 insert=2.0e-07s/call del=2.6e-06s/call +nbin= 1000 nent= 100000 insert=3.8e-05s/call del=2.5e-05s/call +nbin= 10000 nent= 10000 insert=1.2e-07s/call del=5.7e-06s/call +nbin= 10000 nent= 100000 insert=1.9e-06s/call del=6.3e-07s/call +nbin= 10000 nent= 1000000 insert=6.2e-05s/call del=4.3e-05s/call Things seem to be working! test 12 @@ -2932,72 +2968,72 @@ 12: small test : 0 12: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 12: Total tasks = 10000000 -12: Total runtime = 3.07562 (s) +12: Total runtime = 4.1078 (s) 12: Tasks per thread: -12: 0 79677 -12: 1 169082 -12: 2 226359 -12: 3 202491 -12: 4 202566 -12: 5 235277 -12: 6 212282 -12: 7 141821 -12: 8 198946 -12: 9 101097 -12: 10 103148 -12: 11 174383 -12: 12 254404 -12: 13 128197 -12: 14 159682 -12: 15 143853 -12: 16 146930 -12: 17 102539 -12: 18 131472 -12: 19 122642 -12: 20 104386 -12: 21 134099 -12: 22 141678 -12: 23 150014 -12: 24 176740 -12: 25 182171 -12: 26 193525 -12: 27 198951 -12: 28 144856 -12: 29 135212 -12: 30 133611 -12: 31 176357 -12: 32 107495 -12: 33 114193 -12: 34 133233 -12: 35 203078 -12: 36 145485 -12: 37 135781 -12: 38 219973 -12: 39 188141 -12: 40 148864 -12: 41 107899 -12: 42 111626 -12: 43 153457 -12: 44 160955 -12: 45 125376 -12: 46 127563 -12: 47 131850 -12: 48 135682 -12: 49 207330 -12: 50 132001 -12: 51 167275 -12: 52 194957 -12: 53 286301 -12: 54 188618 -12: 55 136782 -12: 56 172324 -12: 57 204967 -12: 58 121644 -12: 59 93564 -12: 60 143097 -12: 61 119808 -12: 62 160843 -12: 63 111390 +12: 0 56858 +12: 1 121561 +12: 2 139202 +12: 3 190148 +12: 4 151424 +12: 5 149198 +12: 6 190487 +12: 7 177909 +12: 8 124899 +12: 9 125576 +12: 10 174394 +12: 11 152207 +12: 12 147142 +12: 13 116869 +12: 14 200606 +12: 15 137620 +12: 16 117181 +12: 17 194762 +12: 18 121753 +12: 19 186612 +12: 20 183364 +12: 21 118386 +12: 22 144813 +12: 23 157304 +12: 24 111068 +12: 25 145402 +12: 26 170682 +12: 27 225568 +12: 28 151186 +12: 29 177075 +12: 30 182187 +12: 31 130727 +12: 32 160969 +12: 33 183286 +12: 34 158950 +12: 35 119440 +12: 36 122129 +12: 37 183799 +12: 38 125805 +12: 39 116609 +12: 40 125173 +12: 41 207616 +12: 42 199547 +12: 43 132528 +12: 44 145784 +12: 45 141652 +12: 46 147078 +12: 47 135983 +12: 48 154724 +12: 49 135895 +12: 50 227517 +12: 51 114641 +12: 52 136275 +12: 53 133206 +12: 54 112967 +12: 55 307361 +12: 56 145489 +12: 57 133598 +12: 58 334006 +12: 59 173960 +12: 60 216367 +12: 61 111463 +12: 62 168883 +12: 63 113130 12: 64 0 12: 65 0 12: 66 0 @@ -3063,76 +3099,76 @@ 12: 126 0 12: 127 0 12: MADNESS runtime finalized but 1 world still exists -12/56 Test #12: world-test_queue ........................***Timeout 1500.11 sec +12/56 Test #12: world-test_queue ........................***Timeout 1501.32 sec small test : 0 MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 Total tasks = 10000000 -Total runtime = 3.07562 (s) +Total runtime = 4.1078 (s) Tasks per thread: -0 79677 -1 169082 -2 226359 -3 202491 -4 202566 -5 235277 -6 212282 -7 141821 -8 198946 -9 101097 -10 103148 -11 174383 -12 254404 -13 128197 -14 159682 -15 143853 -16 146930 -17 102539 -18 131472 -19 122642 -20 104386 -21 134099 -22 141678 -23 150014 -24 176740 -25 182171 -26 193525 -27 198951 -28 144856 -29 135212 -30 133611 -31 176357 -32 107495 -33 114193 -34 133233 -35 203078 -36 145485 -37 135781 -38 219973 -39 188141 -40 148864 -41 107899 -42 111626 -43 153457 -44 160955 -45 125376 -46 127563 -47 131850 -48 135682 -49 207330 -50 132001 -51 167275 -52 194957 -53 286301 -54 188618 -55 136782 -56 172324 -57 204967 -58 121644 -59 93564 -60 143097 -61 119808 -62 160843 -63 111390 +0 56858 +1 121561 +2 139202 +3 190148 +4 151424 +5 149198 +6 190487 +7 177909 +8 124899 +9 125576 +10 174394 +11 152207 +12 147142 +13 116869 +14 200606 +15 137620 +16 117181 +17 194762 +18 121753 +19 186612 +20 183364 +21 118386 +22 144813 +23 157304 +24 111068 +25 145402 +26 170682 +27 225568 +28 151186 +29 177075 +30 182187 +31 130727 +32 160969 +33 183286 +34 158950 +35 119440 +36 122129 +37 183799 +38 125805 +39 116609 +40 125173 +41 207616 +42 199547 +43 132528 +44 145784 +45 141652 +46 147078 +47 135983 +48 154724 +49 135895 +50 227517 +51 114641 +52 136275 +53 133206 +54 112967 +55 307361 +56 145489 +57 133598 +58 334006 +59 173960 +60 216367 +61 111463 +62 168883 +63 113130 64 0 65 0 66 0 @@ -3206,7 +3242,7 @@ 13: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 13: Test timeout computed to be: 1500 13: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -13/56 Test #13: world-test_world ........................***Timeout 1500.11 sec +13/56 Test #13: world-test_world ........................***Timeout 1504.57 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 test 14 @@ -3216,7 +3252,7 @@ 14: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 14: Test timeout computed to be: 1500 14: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -14/56 Test #14: world-test_worldprofile .................***Timeout 1500.11 sec +14/56 Test #14: world-test_worldprofile .................***Timeout 1500.16 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 test 15 @@ -3229,7 +3265,7 @@ 15: 9.78761 9.78761 15: OK? 1 15: MADNESS runtime finalized but 1 world still exists -15/56 Test #15: world-test_binsorter ....................***Timeout 1500.12 sec +15/56 Test #15: world-test_binsorter ....................***Timeout 1500.69 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 9.78761 9.78761 OK? 1 @@ -3253,9 +3289,9 @@ 16: [----------] 3 tests from VectorTest (0 ms total) 16: 16: [----------] Global test environment tear-down -16: [==========] 3 tests from 1 test case ran. (0 ms total) +16: [==========] 3 tests from 1 test case ran. (1 ms total) 16: [ PASSED ] 3 tests. -16/56 Test #16: world-test_vector ....................... Passed 0.00 sec +16/56 Test #16: world-test_vector ....................... Passed 0.02 sec test 17 Start 17: world-test_worldptr @@ -3300,7 +3336,7 @@ 17: [==========] 14 tests from 1 test case ran. (0 ms total) 17: [ PASSED ] 14 tests. 17: MADNESS runtime finalized but 1 world still exists -17/56 Test #17: world-test_worldptr .....................***Timeout 1500.12 sec +17/56 Test #17: world-test_worldptr .....................***Timeout 1502.18 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 [==========] Running 14 tests from 1 test case. [----------] Global test environment set-up. @@ -3380,13 +3416,13 @@ 18: [ OK ] WorldRefTest.Serialize (0 ms) 18: [ RUN ] WorldRefTest.RemoteRef 18: [ OK ] WorldRefTest.RemoteRef (0 ms) -18: [----------] 15 tests from WorldRefTest (0 ms total) +18: [----------] 15 tests from WorldRefTest (1 ms total) 18: 18: [----------] Global test environment tear-down 18: [==========] 15 tests from 1 test case ran. (1 ms total) 18: [ PASSED ] 15 tests. 18: MADNESS runtime finalized but 1 world still exists -18/56 Test #18: world-test_worldref .....................***Timeout 1500.12 sec +18/56 Test #18: world-test_worldref .....................***Timeout 1503.23 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 [==========] Running 15 tests from 1 test case. [----------] Global test environment set-up. @@ -3421,7 +3457,7 @@ [ OK ] WorldRefTest.Serialize (0 ms) [ RUN ] WorldRefTest.RemoteRef [ OK ] WorldRefTest.RemoteRef (0 ms) -[----------] 15 tests from WorldRefTest (0 ms total) +[----------] 15 tests from WorldRefTest (1 ms total) [----------] Global test environment tear-down [==========] 15 tests from 1 test case ran. (1 ms total) @@ -3470,13 +3506,13 @@ 19: [ RUN ] StackTest/2.DefaultConstructor 19: [ OK ] StackTest/2.DefaultConstructor (0 ms) 19: [ RUN ] StackTest/2.PushPop -19: [ OK ] StackTest/2.PushPop (0 ms) +19: [ OK ] StackTest/2.PushPop (1 ms) 19: [ RUN ] StackTest/2.CopyCtor 19: [ OK ] StackTest/2.CopyCtor (0 ms) 19: [ RUN ] StackTest/2.MoveCtor 19: [ OK ] StackTest/2.MoveCtor (0 ms) 19: [ RUN ] StackTest/2.CopyAssign -19: [ OK ] StackTest/2.CopyAssign (1 ms) +19: [ OK ] StackTest/2.CopyAssign (0 ms) 19: [ RUN ] StackTest/2.MoveAssign 19: [ OK ] StackTest/2.MoveAssign (0 ms) 19: [----------] 6 tests from StackTest/2 (1 ms total) @@ -3497,9 +3533,9 @@ 19: [----------] 6 tests from StackTest/3 (0 ms total) 19: 19: [----------] Global test environment tear-down -19: [==========] 24 tests from 4 test cases ran. (1 ms total) +19: [==========] 24 tests from 4 test cases ran. (2 ms total) 19: [ PASSED ] 24 tests. -19/56 Test #19: world-test_stack ........................ Passed 0.01 sec +19/56 Test #19: world-test_stack ........................ Passed 0.03 sec test 20 Start 20: world-test_googletest @@ -3535,7 +3571,7 @@ 20: 20: 1 FAILED TEST 20: MADNESS runtime finalized but 1 world still exists -20/56 Test #20: world-test_googletest ...................***Timeout 1500.13 sec +20/56 Test #20: world-test_googletest ...................***Timeout 1500.17 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 [==========] Running 2 tests from 1 test case. [----------] Global test environment set-up. @@ -3573,7 +3609,7 @@ 21: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 21: Test timeout computed to be: 1500 21: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -21/56 Test #21: world-test_tree .........................***Timeout 1500.19 sec +21/56 Test #21: world-test_tree .........................***Timeout 1500.18 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 test 22 @@ -3671,7 +3707,7 @@ 22: gmake[4]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 22: gmake[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 22: -22/56 Test #22: build_misc_unittests .................... Passed 4.61 sec +22/56 Test #22: build_misc_unittests .................... Passed 6.24 sec test 23 Start 23: misc-interp3 @@ -3679,7 +3715,7 @@ 23: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/misc 23: Test timeout computed to be: 1500 23: maxerr 1.95399252334e-14 -23/56 Test #23: misc-interp3 ............................ Passed 0.12 sec +23/56 Test #23: misc-interp3 ............................ Passed 0.09 sec test 24 Start 24: build_tensor_unittests @@ -3896,7 +3932,7 @@ 24: gmake[4]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 24: gmake[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 24: -24/56 Test #24: build_tensor_unittests .................. Passed 124.36 sec +24/56 Test #24: build_tensor_unittests .................. Passed 318.73 sec test 25 Start 25: tensor-test_tensor @@ -3907,86 +3943,86 @@ 25: [----------] Global test environment set-up. 25: [----------] 5 tests from TensorTest/0, where TypeParam = int 25: [ RUN ] TensorTest/0.Basic -25: [ OK ] TensorTest/0.Basic (10 ms) +25: [ OK ] TensorTest/0.Basic (31 ms) 25: [ RUN ] TensorTest/0.Slicing1d 25: [ OK ] TensorTest/0.Slicing1d (0 ms) 25: [ RUN ] TensorTest/0.SliceAndDice 25: [ OK ] TensorTest/0.SliceAndDice (0 ms) 25: [ RUN ] TensorTest/0.Transpose -25: [ OK ] TensorTest/0.Transpose (0 ms) +25: [ OK ] TensorTest/0.Transpose (1 ms) 25: [ RUN ] TensorTest/0.Reshaping -25: [ OK ] TensorTest/0.Reshaping (1 ms) -25: [----------] 5 tests from TensorTest/0 (11 ms total) +25: [ OK ] TensorTest/0.Reshaping (2 ms) +25: [----------] 5 tests from TensorTest/0 (39 ms total) 25: 25: [----------] 5 tests from TensorTest/1, where TypeParam = long 25: [ RUN ] TensorTest/1.Basic -25: [ OK ] TensorTest/1.Basic (3 ms) +25: [ OK ] TensorTest/1.Basic (4 ms) 25: [ RUN ] TensorTest/1.Slicing1d 25: [ OK ] TensorTest/1.Slicing1d (0 ms) 25: [ RUN ] TensorTest/1.SliceAndDice 25: [ OK ] TensorTest/1.SliceAndDice (0 ms) 25: [ RUN ] TensorTest/1.Transpose -25: [ OK ] TensorTest/1.Transpose (1 ms) +25: [ OK ] TensorTest/1.Transpose (0 ms) 25: [ RUN ] TensorTest/1.Reshaping -25: [ OK ] TensorTest/1.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/1 (4 ms total) +25: [ OK ] TensorTest/1.Reshaping (1 ms) +25: [----------] 5 tests from TensorTest/1 (5 ms total) 25: 25: [----------] 5 tests from TensorTest/2, where TypeParam = float 25: [ RUN ] TensorTest/2.Basic -25: [ OK ] TensorTest/2.Basic (4 ms) +25: [ OK ] TensorTest/2.Basic (17 ms) 25: [ RUN ] TensorTest/2.Slicing1d 25: [ OK ] TensorTest/2.Slicing1d (0 ms) 25: [ RUN ] TensorTest/2.SliceAndDice 25: [ OK ] TensorTest/2.SliceAndDice (0 ms) 25: [ RUN ] TensorTest/2.Transpose -25: [ OK ] TensorTest/2.Transpose (0 ms) +25: [ OK ] TensorTest/2.Transpose (1 ms) 25: [ RUN ] TensorTest/2.Reshaping 25: [ OK ] TensorTest/2.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/2 (4 ms total) +25: [----------] 5 tests from TensorTest/2 (19 ms total) 25: 25: [----------] 5 tests from TensorTest/3, where TypeParam = double 25: [ RUN ] TensorTest/3.Basic -25: [ OK ] TensorTest/3.Basic (2 ms) +25: [ OK ] TensorTest/3.Basic (4 ms) 25: [ RUN ] TensorTest/3.Slicing1d 25: [ OK ] TensorTest/3.Slicing1d (0 ms) 25: [ RUN ] TensorTest/3.SliceAndDice 25: [ OK ] TensorTest/3.SliceAndDice (0 ms) 25: [ RUN ] TensorTest/3.Transpose -25: [ OK ] TensorTest/3.Transpose (1 ms) +25: [ OK ] TensorTest/3.Transpose (0 ms) 25: [ RUN ] TensorTest/3.Reshaping 25: [ OK ] TensorTest/3.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/3 (3 ms total) +25: [----------] 5 tests from TensorTest/3 (6 ms total) 25: 25: [----------] 5 tests from TensorTest/4, where TypeParam = std::complex 25: [ RUN ] TensorTest/4.Basic -25: [ OK ] TensorTest/4.Basic (2 ms) +25: [ OK ] TensorTest/4.Basic (4 ms) 25: [ RUN ] TensorTest/4.Slicing1d 25: [ OK ] TensorTest/4.Slicing1d (0 ms) 25: [ RUN ] TensorTest/4.SliceAndDice -25: [ OK ] TensorTest/4.SliceAndDice (1 ms) +25: [ OK ] TensorTest/4.SliceAndDice (0 ms) 25: [ RUN ] TensorTest/4.Transpose 25: [ OK ] TensorTest/4.Transpose (0 ms) 25: [ RUN ] TensorTest/4.Reshaping 25: [ OK ] TensorTest/4.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/4 (3 ms total) +25: [----------] 5 tests from TensorTest/4 (6 ms total) 25: 25: [----------] 5 tests from TensorTest/5, where TypeParam = std::complex 25: [ RUN ] TensorTest/5.Basic -25: [ OK ] TensorTest/5.Basic (9 ms) +25: [ OK ] TensorTest/5.Basic (15 ms) 25: [ RUN ] TensorTest/5.Slicing1d 25: [ OK ] TensorTest/5.Slicing1d (0 ms) 25: [ RUN ] TensorTest/5.SliceAndDice -25: [ OK ] TensorTest/5.SliceAndDice (0 ms) +25: [ OK ] TensorTest/5.SliceAndDice (5 ms) 25: [ RUN ] TensorTest/5.Transpose 25: [ OK ] TensorTest/5.Transpose (0 ms) 25: [ RUN ] TensorTest/5.Reshaping -25: [ OK ] TensorTest/5.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/5 (9 ms total) +25: [ OK ] TensorTest/5.Reshaping (1 ms) +25: [----------] 5 tests from TensorTest/5 (22 ms total) 25: 25: [----------] Global test environment tear-down -25: [==========] 30 tests from 6 test cases ran. (34 ms total) +25: [==========] 30 tests from 6 test cases ran. (100 ms total) 25: [ PASSED ] 30 tests. -25/56 Test #25: tensor-test_tensor ...................... Passed 0.04 sec +25/56 Test #25: tensor-test_tensor ...................... Passed 0.12 sec test 26 Start 26: tensor-oldtest @@ -4279,7 +4315,7 @@ 26: [5,*] 0.33149500 0.08960122 -0.30843641 0.29759492 -0.05619673 0.04010210 0.45044425 0.16708594 26: [6,*] -0.30772380 -0.02504389 -0.31501939 -0.46608584 -0.23087815 -0.15784214 0.00800091 -0.45405219 26: [7,*] -0.26379890 -0.33894150 0.19107575 0.26229331 0.32673166 -0.28439306 -0.15519180 -0.08980275 -26: TRANSFORM MOPS=2.676674e+03 1.487410e-01 +26: TRANSFORM MOPS=1.459837e+03 2.727230e-01 26: Test7 OK 26: [0,*] 0.37258124 -0.49952751 -0.25496480 0.04929388 -0.19749206 -0.49935344 0.28301728 -0.00667718 26: [1,*] -0.48838624 0.15726274 0.26025498 0.26724589 -0.20811012 -0.37447649 -0.16809446 -0.22237402 @@ -4289,7 +4325,7 @@ 26: [5,*] 0.22898686 -0.11340395 -0.24177271 0.04802269 -0.43062589 0.33717400 0.07783371 0.45109630 26: [6,*] -0.23378491 0.30305308 0.24609971 -0.09605372 -0.34217095 0.21689934 0.19800431 0.49755073 26: [7,*] 0.10748863 -0.38455153 0.41225362 0.44050258 -0.46733639 -0.05386999 -0.15734968 0.23180145 -26: TRANSFORM MOPS=2.611039e+03 1.524800e-01 +26: TRANSFORM MOPS=1.418366e+03 2.806970e-01 26: Test7 OK 26: [0,*] (-0.33518440,0.40357217) (-0.17473283,0.82070410) (-0.01585835,0.30722934) (-0.10463598,0.53139055) (0.42974538,0.80602288) (0.04878730,0.81677061) (0.44425398,0.85733587) (-0.29166049,0.53121889) 26: [1,*] (0.37691134,0.79058260) (0.26496691,0.38599995) (0.30913788,0.70016384) (0.04523838,0.12896948) (0.47609943,0.52484506) (-0.38288075,0.31095162) (0.31768924,0.34667173) (0.04381561,0.31462812) @@ -4299,7 +4335,7 @@ 26: [5,*] (0.30336678,0.74079227) (0.11002743,0.76288539) (-0.06467077,0.64183664) (0.17587787,0.81293410) (-0.26850542,0.71055275) (0.08655286,0.80521709) (-0.18343061,0.93971467) (-0.24734113,0.77711433) 26: [6,*] (-0.07770854,0.35136056) (0.22223508,0.90042019) (-0.15083373,0.91546267) (0.18045902,0.57162702) (0.21359932,0.54605520) (0.01220465,0.41263413) (0.38418221,0.39658678) (-0.49345541,0.13574487) 26: [7,*] (0.08767700,0.27388635) (0.42689300,0.54163760) (0.42322290,0.88915259) (0.27913439,0.60699731) (-0.18934026,0.24518129) (0.38722092,0.89842355) (0.40735584,0.30166972) (-0.28098965,0.36893281) -26: TRANSFORM MOPS=8.751310e+02 4.549390e-01 +26: TRANSFORM MOPS=4.605148e+02 8.645350e-01 26: Test7 OK 26: [0,*] (-0.22755254,0.57269159) (-0.07478989,0.43807784) (-0.24730353,0.78578815) (0.20665902,0.62266508) (0.12482685,0.51164074) (0.24353600,0.92878744) (0.46334137,0.36037633) (0.46272543,0.51957551) 26: [1,*] (0.35175250,0.72459751) (-0.35089990,0.16703264) (-0.44773651,0.15582966) (0.48021385,0.80343313) (0.29902630,0.45075531) (0.49398458,0.95469289) (-0.43422229,0.44721513) (-0.32410302,0.30609395) @@ -4309,7 +4345,7 @@ 26: [5,*] (-0.11862637,0.74522584) (0.25353933,0.18655012) (0.03539079,0.30360753) (-0.30266334,0.59161415) (-0.21397802,0.62723828) (0.44885690,0.47638956) (-0.46902392,0.64435797) (-0.29529039,0.08937368) 26: [6,*] (0.06185808,0.52913210) (-0.07325087,0.09385617) (0.37951079,0.81747530) (-0.32779262,0.02006209) (0.15632005,0.08172432) (-0.32126779,0.68346498) (-0.22019094,0.41530889) (0.11700355,0.56863624) 26: [7,*] (-0.04127420,0.47510442) (-0.03989285,0.68613051) (-0.25309523,0.67283206) (-0.30727698,0.30224587) (-0.04743560,0.79662554) (0.07633570,0.91835310) (0.24781771,0.35148821) (-0.47573126,0.30066112) -26: TRANSFORM MOPS=1.174612e+03 3.389470e-01 +26: TRANSFORM MOPS=5.217438e+02 7.630780e-01 26: Test7 OK 26: 26: @@ -4317,7 +4353,7 @@ 26: 26: 26: Tensor seems vaguely OK ... fingers crossed -26/56 Test #26: tensor-oldtest .......................... Passed 1.54 sec +26/56 Test #26: tensor-oldtest .......................... Passed 5.82 sec test 27 Start 27: tensor-test_mtxmq @@ -4333,71 +4369,71 @@ 27: (m*m)T*(m*m) 6 6 6 1.82 1.94 27: (m*m)T*(m*m) 8 8 8 2.17 2.24 27: (m*m)T*(m*m) 10 10 10 2.36 2.44 -27: (m*m)T*(m*m) 12 12 12 2.34 2.42 +27: (m*m)T*(m*m) 12 12 12 2.34 2.43 27: (m*m)T*(m*m) 14 14 14 2.45 2.52 27: (m*m)T*(m*m) 16 16 16 2.53 2.58 27: (m*m)T*(m*m) 18 18 18 2.58 2.63 27: (m*m)T*(m*m) 20 20 20 2.62 2.66 27: (m*m)T*(m*m) 22 22 22 2.66 2.69 27: (m*m)T*(m*m) 24 24 24 2.68 2.71 -27: (m*m)T*(m*m) 26 26 26 2.70 2.73 -27: (m*m)T*(m*m) 28 28 28 2.72 2.74 +27: (m*m)T*(m*m) 26 26 26 2.70 2.72 +27: (m*m)T*(m*m) 28 28 28 2.71 2.74 27: (m*m)T*(m*m) 30 30 30 2.73 2.75 -27: (m*m)T*(m*m) 32 32 32 2.75 2.76 +27: (m*m)T*(m*m) 32 32 32 2.74 2.76 27: (m*m)T*(m*m) 34 34 34 2.75 2.77 27: (m*m)T*(m*m) 36 36 36 2.76 2.78 27: (m*m)T*(m*m) 38 38 38 2.76 2.76 -27: (m*m)T*(m*m) 40 40 40 2.36 2.37 -27: (m*m)T*(m*m) 42 42 42 2.38 2.39 -27: (m*m)T*(m*m) 44 44 44 2.41 2.41 -27: (m*m)T*(m*m) 46 46 46 2.79 2.81 -27: (m*m)T*(m*m) 48 48 48 2.78 2.80 -27: (m*m)T*(m*m) 50 50 50 2.79 2.80 -27: (m*m)T*(m*m) 52 52 52 2.80 2.82 +27: (m*m)T*(m*m) 40 40 40 2.34 2.36 +27: (m*m)T*(m*m) 42 42 42 2.37 2.38 +27: (m*m)T*(m*m) 44 44 44 2.39 2.40 +27: (m*m)T*(m*m) 46 46 46 2.78 2.80 +27: (m*m)T*(m*m) 48 48 48 2.79 2.81 +27: (m*m)T*(m*m) 50 50 50 2.79 2.81 +27: (m*m)T*(m*m) 52 52 52 2.79 2.81 27: (m*m)T*(m*m) 54 54 54 2.80 2.81 27: (m*m)T*(m*m) 56 56 56 2.81 2.81 27: (m*m)T*(m*m) 58 58 58 2.81 2.82 27: (m*m,m)T*(m*m) 4 2 2 0.51 0.61 -27: (m*m,m)T*(m*m) 16 4 4 1.54 1.74 +27: (m*m,m)T*(m*m) 16 4 4 1.52 1.74 27: (m*m,m)T*(m*m) 36 6 6 2.07 2.22 27: (m*m,m)T*(m*m) 64 8 8 2.32 2.42 -27: (m*m,m)T*(m*m) 100 10 10 2.45 2.54 -27: (m*m,m)T*(m*m) 144 12 12 2.39 2.47 +27: (m*m,m)T*(m*m) 100 10 10 2.45 2.53 +27: (m*m,m)T*(m*m) 144 12 12 2.39 2.46 27: (m*m,m)T*(m*m) 196 14 14 2.49 2.54 27: (m*m,m)T*(m*m) 256 16 16 2.55 2.60 27: (m*m,m)T*(m*m) 324 18 18 2.60 2.64 -27: (m*m,m)T*(m*m) 400 20 20 2.63 2.67 -27: (m*m,m)T*(m*m) 484 22 22 2.67 2.70 +27: (m*m,m)T*(m*m) 400 20 20 2.62 2.67 +27: (m*m,m)T*(m*m) 484 22 22 2.66 2.44 27: (m*m,m)T*(m*m) 576 24 24 2.68 2.71 27: (m*m,m)T*(m*m) 676 26 26 2.70 2.72 27: (m*m,m)T*(m*m) 784 28 28 2.72 2.73 27: (m*m,m)T*(m*m) 900 30 30 2.73 2.75 -27: tran(m,m,m) 4 2 2 0.44 0.61 -27: tran(m,m,m) 16 4 4 1.52 1.75 -27: tran(m,m,m) 36 6 6 2.06 2.22 -27: tran(m,m,m) 64 8 8 2.31 2.42 -27: tran(m,m,m) 100 10 10 2.45 2.53 -27: tran(m,m,m) 144 12 12 2.39 2.46 +27: tran(m,m,m) 4 2 2 0.24 0.30 +27: tran(m,m,m) 16 4 4 0.83 0.97 +27: tran(m,m,m) 36 6 6 1.11 1.24 +27: tran(m,m,m) 64 8 8 1.25 1.33 +27: tran(m,m,m) 100 10 10 2.44 2.53 +27: tran(m,m,m) 144 12 12 2.38 2.46 27: tran(m,m,m) 196 14 14 2.48 2.54 27: tran(m,m,m) 256 16 16 2.55 2.60 27: tran(m,m,m) 324 18 18 2.59 2.64 27: tran(m,m,m) 400 20 20 2.63 2.67 -27: tran(m,m,m) 484 22 22 2.66 2.69 -27: tran(m,m,m) 576 24 24 2.69 2.71 +27: tran(m,m,m) 484 22 22 2.25 2.69 +27: tran(m,m,m) 576 24 24 2.68 2.71 27: tran(m,m,m) 676 26 26 2.70 2.72 -27: tran(m,m,m) 784 28 28 2.71 2.74 +27: tran(m,m,m) 784 28 28 2.71 2.73 27: tran(m,m,m) 900 30 30 2.73 2.75 27: (20*20,20)T*(20,m) 400 2 20 1.50 1.49 27: (20*20,20)T*(20,m) 400 4 20 1.96 2.05 -27: (20*20,20)T*(20,m) 400 6 20 2.29 2.35 -27: (20*20,20)T*(20,m) 400 8 20 2.33 2.39 -27: (20*20,20)T*(20,m) 400 10 20 2.44 2.49 -27: (20*20,20)T*(20,m) 400 12 20 2.50 2.54 +27: (20*20,20)T*(20,m) 400 6 20 2.29 2.36 +27: (20*20,20)T*(20,m) 400 8 20 1.64 1.39 +27: (20*20,20)T*(20,m) 400 10 20 2.38 2.48 +27: (20*20,20)T*(20,m) 400 12 20 2.48 2.54 27: (20*20,20)T*(20,m) 400 14 20 2.54 2.58 27: (20*20,20)T*(20,m) 400 16 20 2.58 2.62 27: (20*20,20)T*(20,m) 400 18 20 2.61 2.65 27: (20*20,20)T*(20,m) 400 20 20 2.63 2.67 -27/56 Test #27: tensor-test_mtxmq ....................... Passed 225.27 sec +27/56 Test #27: tensor-test_mtxmq ....................... Passed 287.37 sec test 28 Start 28: tensor-jimkernel @@ -4415,8 +4451,8 @@ 28: doing box 70 28: doing box 80 28: doing box 90 -28: used 34.0974 s nflop 8.262e+10 rate 2.42306e+09 -28/56 Test #28: tensor-jimkernel ........................ Passed 34.15 sec +28: used 33.2958 s nflop 8.262e+10 rate 2.48139e+09 +28/56 Test #28: tensor-jimkernel ........................ Passed 33.35 sec test 29 Start 29: tensor-test_distributed_matrix @@ -4425,7 +4461,7 @@ 29: Test timeout computed to be: 1500 29: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 29: MADNESS runtime finalized but 1 world still exists -29/56 Test #29: tensor-test_distributed_matrix ..........***Timeout 1500.11 sec +29/56 Test #29: tensor-test_distributed_matrix ..........***Timeout 1500.12 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 MADNESS runtime finalized but 1 world still exists @@ -4439,41 +4475,41 @@ 30: Starting to test ... 30: ... OK! 30: type M N K LOOP BLAS (GF/s) -30: (m*m)T*(m*m) 2 2 2 0.26 0.00 -30: (m*m)T*(m*m) 4 4 4 0.72 0.00 +30: (m*m)T*(m*m) 2 2 2 0.27 0.00 +30: (m*m)T*(m*m) 4 4 4 0.74 0.00 30: (m*m)T*(m*m) 6 6 6 0.94 0.00 30: (m*m)T*(m*m) 8 8 8 1.05 0.00 30: (m*m)T*(m*m) 10 10 10 1.11 0.00 -30: (m*m)T*(m*m) 12 12 12 1.10 0.00 +30: (m*m)T*(m*m) 12 12 12 1.11 0.00 30: (m*m)T*(m*m) 14 14 14 1.14 0.00 30: (m*m)T*(m*m) 16 16 16 1.16 0.00 -30: (m*m)T*(m*m) 18 18 18 1.18 0.00 +30: (m*m)T*(m*m) 18 18 18 1.17 0.00 30: (m*m)T*(m*m) 20 20 20 1.19 0.00 -30: (m*m)T*(m*m) 22 22 22 1.20 0.00 +30: (m*m)T*(m*m) 22 22 22 1.19 0.00 30: (m*m)T*(m*m) 24 24 24 1.20 0.00 30: (m*m)T*(m*m) 26 26 26 1.20 0.00 30: (m*m)T*(m*m) 28 28 28 1.21 0.00 -30: (m*m)T*(m*m) 30 30 30 1.20 0.00 -30: (m*m)T*(m*m) 32 32 32 1.22 0.00 -30: (m*m)T*(m*m) 34 34 34 1.22 0.00 -30: (m*m)T*(m*m) 36 36 36 1.11 0.00 -30: (m*m)T*(m*m) 38 38 38 1.12 0.00 +30: (m*m)T*(m*m) 30 30 30 1.21 0.00 +30: (m*m)T*(m*m) 32 32 32 1.21 0.00 +30: (m*m)T*(m*m) 34 34 34 1.21 0.00 +30: (m*m)T*(m*m) 36 36 36 1.16 0.00 +30: (m*m)T*(m*m) 38 38 38 1.11 0.00 30: (m*m)T*(m*m) 40 40 40 1.12 0.00 30: (m*m)T*(m*m) 42 42 42 1.13 0.00 -30: (m*m)T*(m*m) 44 44 44 1.13 0.00 -30: (m*m)T*(m*m) 46 46 46 1.14 0.00 +30: (m*m)T*(m*m) 44 44 44 1.14 0.00 +30: (m*m)T*(m*m) 46 46 46 1.13 0.00 30: (m*m)T*(m*m) 48 48 48 1.14 0.00 30: (m*m)T*(m*m) 50 50 50 1.14 0.00 30: (m*m)T*(m*m) 52 52 52 1.15 0.00 -30: (m*m)T*(m*m) 54 54 54 1.15 0.00 +30: (m*m)T*(m*m) 54 54 54 1.14 0.00 30: (m*m)T*(m*m) 56 56 56 1.16 0.00 -30: (m*m)T*(m*m) 58 58 58 1.16 0.00 +30: (m*m)T*(m*m) 58 58 58 1.15 0.00 30: (m*m,m)T*(m*m) 1 1 1 0.05 0.00 -30: (m*m,m)T*(m*m) 4 2 2 0.36 0.00 -30: (m*m,m)T*(m*m) 9 3 3 0.69 0.00 +30: (m*m,m)T*(m*m) 4 2 2 0.38 0.00 +30: (m*m,m)T*(m*m) 9 3 3 0.70 0.00 30: (m*m,m)T*(m*m) 16 4 4 0.87 0.00 -30: (m*m,m)T*(m*m) 25 5 5 0.95 0.00 -30: (m*m,m)T*(m*m) 36 6 6 1.03 0.00 +30: (m*m,m)T*(m*m) 25 5 5 0.96 0.00 +30: (m*m,m)T*(m*m) 36 6 6 1.02 0.00 30: (m*m,m)T*(m*m) 49 7 7 1.06 0.00 30: (m*m,m)T*(m*m) 64 8 8 1.09 0.00 30: (m*m,m)T*(m*m) 81 9 9 1.10 0.00 @@ -4485,70 +4521,70 @@ 30: (m*m,m)T*(m*m) 225 15 15 1.14 0.00 30: (m*m,m)T*(m*m) 256 16 16 1.11 0.00 30: (m*m,m)T*(m*m) 289 17 17 1.16 0.00 -30: (m*m,m)T*(m*m) 324 18 18 1.15 0.00 +30: (m*m,m)T*(m*m) 324 18 18 1.16 0.00 30: (m*m,m)T*(m*m) 361 19 19 1.16 0.00 30: (m*m,m)T*(m*m) 400 20 20 1.17 0.00 -30: (m*m,m)T*(m*m) 441 21 21 1.18 0.00 +30: (m*m,m)T*(m*m) 441 21 21 1.17 0.00 30: (m*m,m)T*(m*m) 484 22 22 1.18 0.00 30: (m*m,m)T*(m*m) 529 23 23 1.18 0.00 -30: (m*m,m)T*(m*m) 576 24 24 1.18 0.00 -30: (m*m,m)T*(m*m) 625 25 25 1.19 0.00 -30: (m*m,m)T*(m*m) 676 26 26 1.20 0.00 -30: (m*m,m)T*(m*m) 729 27 27 1.19 0.00 +30: (m*m,m)T*(m*m) 576 24 24 1.17 0.00 +30: (m*m,m)T*(m*m) 625 25 25 1.18 0.00 +30: (m*m,m)T*(m*m) 676 26 26 1.18 0.00 +30: (m*m,m)T*(m*m) 729 27 27 1.20 0.00 30: (m*m,m)T*(m*m) 784 28 28 1.20 0.00 30: (m*m,m)T*(m*m) 841 29 29 1.20 0.00 30: (m*m,m)T*(m*m) 900 30 30 1.21 0.00 30: tran(m,m,m) 1 1 1 0.05 0.00 30: tran(m,m,m) 4 2 2 0.38 0.00 -30: tran(m,m,m) 9 3 3 0.70 0.00 +30: tran(m,m,m) 9 3 3 0.71 0.00 30: tran(m,m,m) 16 4 4 0.87 0.00 30: tran(m,m,m) 25 5 5 0.96 0.00 30: tran(m,m,m) 36 6 6 1.02 0.00 -30: tran(m,m,m) 49 7 7 1.06 0.00 +30: tran(m,m,m) 49 7 7 1.05 0.00 30: tran(m,m,m) 64 8 8 1.09 0.00 30: tran(m,m,m) 81 9 9 1.10 0.00 30: tran(m,m,m) 100 10 10 1.12 0.00 -30: tran(m,m,m) 121 11 11 1.09 0.00 -30: tran(m,m,m) 144 12 12 1.10 0.00 -30: tran(m,m,m) 169 13 13 0.78 0.00 -30: tran(m,m,m) 196 14 14 0.65 0.00 -30: tran(m,m,m) 225 15 15 0.66 0.00 -30: tran(m,m,m) 256 16 16 0.58 0.00 -30: tran(m,m,m) 289 17 17 0.71 0.00 -30: tran(m,m,m) 324 18 18 0.63 0.00 -30: tran(m,m,m) 361 19 19 0.64 0.00 -30: tran(m,m,m) 400 20 20 0.60 0.00 -30: tran(m,m,m) 441 21 21 0.59 0.00 -30: tran(m,m,m) 484 22 22 0.61 0.00 -30: tran(m,m,m) 529 23 23 0.61 0.00 -30: tran(m,m,m) 576 24 24 0.61 0.00 -30: tran(m,m,m) 625 25 25 0.62 0.00 -30: tran(m,m,m) 676 26 26 0.61 0.00 -30: tran(m,m,m) 729 27 27 0.57 0.00 -30: tran(m,m,m) 784 28 28 0.55 0.00 -30: tran(m,m,m) 841 29 29 0.54 0.00 -30: tran(m,m,m) 900 30 30 0.61 0.00 -30: (20*20,20)T*(20,m) 400 1 20 0.28 0.00 -30: (20*20,20)T*(20,m) 400 2 20 0.41 0.00 -30: (20*20,20)T*(20,m) 400 3 20 0.45 0.00 -30: (20*20,20)T*(20,m) 400 4 20 0.49 0.00 -30: (20*20,20)T*(20,m) 400 5 20 0.51 0.00 -30: (20*20,20)T*(20,m) 400 6 20 0.55 0.00 -30: (20*20,20)T*(20,m) 400 7 20 0.58 0.00 -30: (20*20,20)T*(20,m) 400 8 20 0.59 0.00 -30: (20*20,20)T*(20,m) 400 9 20 0.54 0.00 -30: (20*20,20)T*(20,m) 400 10 20 0.56 0.00 -30: (20*20,20)T*(20,m) 400 11 20 0.56 0.00 -30: (20*20,20)T*(20,m) 400 12 20 0.58 0.00 -30: (20*20,20)T*(20,m) 400 13 20 0.58 0.00 -30: (20*20,20)T*(20,m) 400 14 20 0.55 0.00 -30: (20*20,20)T*(20,m) 400 15 20 0.59 0.00 -30: (20*20,20)T*(20,m) 400 16 20 0.60 0.00 -30: (20*20,20)T*(20,m) 400 17 20 0.60 0.00 -30: (20*20,20)T*(20,m) 400 18 20 0.60 0.00 -30: (20*20,20)T*(20,m) 400 19 20 0.62 0.00 -30: (20*20,20)T*(20,m) 400 20 20 0.62 0.00 -30/56 Test #30: tensor-test_Zmtxmq ...................... Passed 27.62 sec +30: tran(m,m,m) 121 11 11 1.08 0.00 +30: tran(m,m,m) 144 12 12 1.11 0.00 +30: tran(m,m,m) 169 13 13 1.12 0.00 +30: tran(m,m,m) 196 14 14 1.13 0.00 +30: tran(m,m,m) 225 15 15 1.14 0.00 +30: tran(m,m,m) 256 16 16 1.12 0.00 +30: tran(m,m,m) 289 17 17 1.16 0.00 +30: tran(m,m,m) 324 18 18 1.16 0.00 +30: tran(m,m,m) 361 19 19 1.17 0.00 +30: tran(m,m,m) 400 20 20 1.17 0.00 +30: tran(m,m,m) 441 21 21 1.18 0.00 +30: tran(m,m,m) 484 22 22 1.17 0.00 +30: tran(m,m,m) 529 23 23 1.18 0.00 +30: tran(m,m,m) 576 24 24 1.17 0.00 +30: tran(m,m,m) 625 25 25 1.16 0.00 +30: tran(m,m,m) 676 26 26 1.18 0.00 +30: tran(m,m,m) 729 27 27 1.19 0.00 +30: tran(m,m,m) 784 28 28 1.20 0.00 +30: tran(m,m,m) 841 29 29 1.20 0.00 +30: tran(m,m,m) 900 30 30 1.20 0.00 +30: (20*20,20)T*(20,m) 400 1 20 0.49 0.00 +30: (20*20,20)T*(20,m) 400 2 20 0.78 0.00 +30: (20*20,20)T*(20,m) 400 3 20 0.85 0.00 +30: (20*20,20)T*(20,m) 400 4 20 0.90 0.00 +30: (20*20,20)T*(20,m) 400 5 20 0.94 0.00 +30: (20*20,20)T*(20,m) 400 6 20 0.93 0.00 +30: (20*20,20)T*(20,m) 400 7 20 0.98 0.00 +30: (20*20,20)T*(20,m) 400 8 20 1.02 0.00 +30: (20*20,20)T*(20,m) 400 9 20 1.02 0.00 +30: (20*20,20)T*(20,m) 400 10 20 1.06 0.00 +30: (20*20,20)T*(20,m) 400 11 20 1.07 0.00 +30: (20*20,20)T*(20,m) 400 12 20 1.09 0.00 +30: (20*20,20)T*(20,m) 400 13 20 1.05 0.00 +30: (20*20,20)T*(20,m) 400 14 20 1.05 0.00 +30: (20*20,20)T*(20,m) 400 15 20 1.11 0.00 +30: (20*20,20)T*(20,m) 400 16 20 1.08 0.00 +30: (20*20,20)T*(20,m) 400 17 20 1.09 0.00 +30: (20*20,20)T*(20,m) 400 18 20 1.07 0.00 +30: (20*20,20)T*(20,m) 400 19 20 1.13 0.00 +30: (20*20,20)T*(20,m) 400 20 20 1.15 0.00 +30/56 Test #30: tensor-test_Zmtxmq ...................... Passed 15.43 sec test 31 Start 31: tensor-test_systolic @@ -4556,7 +4592,7 @@ 31: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor 31: Test timeout computed to be: 1500 31: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -31/56 Test #31: tensor-test_systolic ....................***Timeout 1500.12 sec +31/56 Test #31: tensor-test_systolic ....................***Timeout 1500.19 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 test 32 @@ -4715,7 +4751,7 @@ 32: gmake[4]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 32: gmake[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 32: -32/56 Test #32: build_linalg_unittests .................. Passed 5.95 sec +32/56 Test #32: build_linalg_unittests .................. Passed 16.98 sec test 33 Start 33: linalg-test_linalg @@ -4810,7 +4846,7 @@ 33: error in double inverse 8.92867e-17 33: 33: Test passed -33/56 Test #33: linalg-test_linalg ...................... Passed 0.13 sec +33/56 Test #33: linalg-test_linalg ...................... Passed 0.18 sec test 34 Start 34: linalg-test_solvers @@ -5174,7 +5210,7 @@ 36: gmake[4]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 36: gmake[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 36: -36/56 Test #36: build_mra_unittests ..................... Passed 212.64 sec +36/56 Test #36: build_mra_unittests ..................... Passed 252.64 sec test 37 Start 37: mra-testbsh @@ -5188,67 +5224,67 @@ 37: Testing with k 4 37: norm and error of the initial function 1.000000e+00 1.441089e-06 37: applying - 1 -37: done in time 2.28066972e+01 +37: done in time 2.77696921e+01 37: err in opf 2.71464707e-06 37: err in f 1.44108881e-06 37: 37: Testing with k 5 37: norm and error of the initial function 9.99999999e-01 1.01716732e-06 37: applying - 1 -37: done in time 6.04611237e+00 +37: done in time 6.78181185e+00 37: err in opf 1.55962596e-06 37: err in f 1.01716732e-06 37: 37: Testing with k 6 37: norm and error of the initial function 1.00000000e+00 7.36373004e-07 37: applying - 1 -37: done in time 2.62157699e+00 +37: done in time 3.02360142e+00 37: err in opf 9.17120564e-07 37: err in f 7.36373004e-07 37: 37: Testing with k 7 37: norm and error of the initial function 1.00000000e+00 5.47334788e-07 37: applying - 1 -37: done in time 1.65104416e+00 +37: done in time 1.94153090e+00 37: err in opf 4.29167451e-07 37: err in f 5.47334788e-07 37: 37: Testing with k 8 37: norm and error of the initial function 1.00000000e+00 4.37286479e-07 37: applying - 1 -37: done in time 1.59999723e+00 +37: done in time 1.79746536e+00 37: err in opf 1.37569639e-07 37: err in f 4.37286479e-07 37: 37: Testing with k 9 37: norm and error of the initial function 1.00000000e+00 3.30281565e-07 37: applying - 1 -37: done in time 1.69746355e+00 +37: done in time 1.76292603e+00 37: err in opf 1.07046882e-07 37: err in f 3.30281565e-07 37: 37: Testing with k 10 37: norm and error of the initial function 1.00000000e+00 8.76802295e-08 37: applying - 1 -37: done in time 2.27408490e+00 +37: done in time 2.26899199e+00 37: err in opf 1.42134490e-07 37: err in f 8.76802295e-08 37: 37: Testing with k 11 37: norm and error of the initial function 1.00000000e+00 2.47068208e-07 37: applying - 1 -37: done in time 2.77457609e+00 +37: done in time 3.22277042e+00 37: err in opf 1.33749018e-07 37: err in f 2.47068208e-07 37: 37: Testing with k 12 37: norm and error of the initial function 1.00000000e+00 6.84994563e-08 37: applying - 1 -37: done in time 3.85251029e+00 +37: done in time 4.28206279e+00 37: err in opf 7.32280642e-08 37: err in f 6.84994563e-08 37: MADNESS runtime finalized but 1 world still exists -37/56 Test #37: mra-testbsh .............................***Timeout 1500.51 sec +37/56 Test #37: mra-testbsh .............................***Timeout 1500.15 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 small test : false Test BSH operation, type = double , ndim = 3 @@ -5256,63 +5292,63 @@ Testing with k 4 norm and error of the initial function 1.000000e+00 1.441089e-06 applying - 1 -done in time 2.28066972e+01 +done in time 2.77696921e+01 err in opf 2.71464707e-06 err in f 1.44108881e-06 Testing with k 5 norm and error of the initial function 9.99999999e-01 1.01716732e-06 applying - 1 -done in time 6.04611237e+00 +done in time 6.78181185e+00 err in opf 1.55962596e-06 err in f 1.01716732e-06 Testing with k 6 norm and error of the initial function 1.00000000e+00 7.36373004e-07 applying - 1 -done in time 2.62157699e+00 +done in time 3.02360142e+00 err in opf 9.17120564e-07 err in f 7.36373004e-07 Testing with k 7 norm and error of the initial function 1.00000000e+00 5.47334788e-07 applying - 1 -done in time 1.65104416e+00 +done in time 1.94153090e+00 err in opf 4.29167451e-07 err in f 5.47334788e-07 Testing with k 8 norm and error of the initial function 1.00000000e+00 4.37286479e-07 applying - 1 -done in time 1.59999723e+00 +done in time 1.79746536e+00 err in opf 1.37569639e-07 err in f 4.37286479e-07 Testing with k 9 norm and error of the initial function 1.00000000e+00 3.30281565e-07 applying - 1 -done in time 1.69746355e+00 +done in time 1.76292603e+00 err in opf 1.07046882e-07 err in f 3.30281565e-07 Testing with k 10 norm and error of the initial function 1.00000000e+00 8.76802295e-08 applying - 1 -done in time 2.27408490e+00 +done in time 2.26899199e+00 err in opf 1.42134490e-07 err in f 8.76802295e-08 Testing with k 11 norm and error of the initial function 1.00000000e+00 2.47068208e-07 applying - 1 -done in time 2.77457609e+00 +done in time 3.22277042e+00 err in opf 1.33749018e-07 err in f 2.47068208e-07 Testing with k 12 norm and error of the initial function 1.00000000e+00 6.84994563e-08 applying - 1 -done in time 3.85251029e+00 +done in time 4.28206279e+00 err in opf 7.32280642e-08 err in f 6.84994563e-08 MADNESS runtime finalized but 1 world still exists @@ -5330,7 +5366,7 @@ 38: error in 1 dimensions 3.89132985e-10 38: I think the cell volume is 6.40000000e+01 38: L 4.00000000e+00 5.64189584e+00 2.25079079e+01 557 10 -38: error in 2 dimensions 2.81635699e-09 +38: error in 2 dimensions 2.81594935e-09 38: MADNESS runtime finalized but 1 world still exists 38/56 Test #38: mra-testproj ............................***Timeout 1500.12 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 @@ -5340,7 +5376,7 @@ error in 1 dimensions 3.89132985e-10 I think the cell volume is 6.40000000e+01 L 4.00000000e+00 5.64189584e+00 2.25079079e+01 557 10 -error in 2 dimensions 2.81635699e-09 +error in 2 dimensions 2.81594935e-09 MADNESS runtime finalized but 1 world still exists test 39 @@ -5354,7 +5390,7 @@ 39: 1 error 2.997260e-05 39: 2 error 2.997260e-05 39: MADNESS runtime finalized but 1 world still exists -39/56 Test #39: mra-testpdiff ...........................***Timeout 1500.11 sec +39/56 Test #39: mra-testpdiff ...........................***Timeout 1502.94 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 0 error 2.997260e-05 1 error 2.997260e-05 @@ -5373,7 +5409,7 @@ 40: Error in du3: 3.53212e-09 PASSED 40: Error in du4: 3.98564e-09 PASSED 40: MADNESS runtime finalized but 1 world still exists -40/56 Test #40: mra-testdiff1Db .........................***Timeout 1500.12 sec +40/56 Test #40: mra-testdiff1Db .........................***Timeout 1500.23 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 Error in du1: 3.44763e-09 PASSED Error in du2: 3.98564e-09 PASSED @@ -5475,7 +5511,7 @@ 42: 1 1.018302e-05 PASS 42: 2 6.559646e-06 PASS 42: MADNESS runtime finalized but 1 world still exists -42/56 Test #42: mra-testopdir ...........................***Timeout 1500.13 sec +42/56 Test #42: mra-testopdir ...........................***Timeout 1500.15 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 small test : false Test different operations in different dirs @@ -5528,16 +5564,16 @@ 43: the numerical basis is not included. We see that since beta 43: is a simple Gaussian, it is cheaper to use the inner() method. 43: -43: timer: 1. < a | b >) 1.42s 1.42s -43: timer: 3. < a | b_ffi > 0.72s 0.72s +43: timer: 1. < a | b >) 0.61s 0.61s +43: timer: 3. < a | b_ffi > 0.61s 0.61s 43: 43: *************************************************************************** 43: For the next two timers, the cost of computing beta in 43: the numerical basis is not included. We see that since alpha 43: is complicated, it is cheaper to use the inner_ext() method. 43: -43: timer: 4. < b | a > 1.52s 1.52s -43: timer: 6. < b | a_ffi > 0.38s 0.38s +43: timer: 4. < b | a > 1.43s 1.43s +43: timer: 6. < b | a_ffi > 0.33s 0.33s 43: 43: Test for correctness 43: *************************************************************************** @@ -5569,16 +5605,16 @@ the numerical basis is not included. We see that since beta is a simple Gaussian, it is cheaper to use the inner() method. -timer: 1. < a | b >) 1.42s 1.42s -timer: 3. < a | b_ffi > 0.72s 0.72s +timer: 1. < a | b >) 0.61s 0.61s +timer: 3. < a | b_ffi > 0.61s 0.61s *************************************************************************** For the next two timers, the cost of computing beta in the numerical basis is not included. We see that since alpha is complicated, it is cheaper to use the inner_ext() method. -timer: 4. < b | a > 1.52s 1.52s -timer: 6. < b | a_ffi > 0.38s 0.38s +timer: 4. < b | a > 1.43s 1.43s +timer: 6. < b | a_ffi > 0.33s 0.33s Test for correctness *************************************************************************** @@ -5615,16 +5651,16 @@ 44: For the first two timers, the cost of computing alpha in 44: the numerical basis is not included. 44: -44: timer: 1. alpha + beta 1.86s 1.86s -44: timer: 2. alpha + beta_func 2.09s 2.09s +44: timer: 1. alpha + beta 1.32s 1.32s +44: timer: 2. alpha + beta_func 1.63s 1.63s 44: *************************************************************************** 44: alpha is a highly oscillatory function (x^2 sin(x^2)). 44: beta is a pretty boring Gaussian. 44: For the next two timers, the cost of computing beta in 44: the numerical basis is not included. 44: -44: timer: 3. beta + alpha 3.02s 3.02s -44: timer: 4. beta + alpha_func 2.38s 2.38s +44: timer: 3. beta + alpha 2.30s 2.30s +44: timer: 4. beta + alpha_func 1.81s 1.81s 44: *************************************************************************** 44: Test for correctness by comparing the 2-norms. 44: (1) norm of apb = 180.4767147248537924 @@ -5632,7 +5668,7 @@ 44: (3) norm of apb = 180.4767147248537924 44: (4) norm of apb_ext = 180.4767147248545598 44: MADNESS runtime finalized but 1 world still exists -44/56 Test #44: mra-testgaxpyext ........................***Timeout 1500.26 sec +44/56 Test #44: mra-testgaxpyext ........................***Timeout 1500.17 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 small test : false *************************************************************************** @@ -5641,16 +5677,16 @@ For the first two timers, the cost of computing alpha in the numerical basis is not included. -timer: 1. alpha + beta 1.86s 1.86s -timer: 2. alpha + beta_func 2.09s 2.09s +timer: 1. alpha + beta 1.32s 1.32s +timer: 2. alpha + beta_func 1.63s 1.63s *************************************************************************** alpha is a highly oscillatory function (x^2 sin(x^2)). beta is a pretty boring Gaussian. For the next two timers, the cost of computing beta in the numerical basis is not included. -timer: 3. beta + alpha 3.02s 3.02s -timer: 4. beta + alpha_func 2.38s 2.38s +timer: 3. beta + alpha 2.30s 2.30s +timer: 4. beta + alpha_func 1.81s 1.81s *************************************************************************** Test for correctness by comparing the 2-norms. (1) norm of apb = 180.4767147248537924 @@ -5670,24 +5706,24 @@ 45: errors in add 3.704781e-06 3.704781e-06 3.704781e-06 4.167008e-06 4.167008e-06 4.167008e-06 45: errors in add 3.704781e-06 3.704781e-06 3.704781e-06 4.167008e-06 4.167008e-06 4.167008e-06 45: testing matrix_inner< double , double > sym = false -45: timer: project 0.14s 0.14s -45: timer: compress 0.05s 0.05s -45: timer: new 0.10s 0.10s -45: timer: old 7.91s 7.91s -45: error norm 3.523862e-15 +45: timer: project 0.22s 0.22s +45: timer: compress 0.06s 0.06s +45: timer: new 0.06s 0.06s +45: timer: old 6.56s 6.56s +45: error norm 2.560283e-15 45: 45: testing matrix_inner< double , double > sym = true -45: timer: project 0.08s 0.08s -45: timer: compress 0.03s 0.03s -45: timer: new 0.03s 0.03s -45: timer: old 4.49s 4.49s +45: timer: project 0.18s 0.18s +45: timer: compress 0.06s 0.06s +45: timer: new 0.07s 0.07s +45: timer: old 3.66s 3.66s 45: error norm 1.059654e-06 45: 45: error in multi_to_multi 1.618096e-15 1.710986e+00 2.430324e+00 45: error in multi_to_multi 1.925602e-15 1.559791e+00 2.247142e+00 45: testing cross product< double , double > -45: timer: project 0.01s 0.01s -45: timer: compress 0.06s 0.06s +45: timer: project 0.03s 0.03s +45: timer: compress 0.04s 0.04s 45: error norm1 0.000000e+00 45: 45: error norm2 0.000000e+00 @@ -5697,8 +5733,8 @@ 45: error norm4 7.750007e-04 (should not be zero) 45: 45: testing cross product< std::complex , double > -45: timer: project 0.05s 0.05s -45: timer: compress 0.04s 0.04s +45: timer: project 0.04s 0.04s +45: timer: compress 0.02s 0.02s 45: error norm1 0.000000e+00 45: 45: error norm2 0.000000e+00 @@ -5708,8 +5744,8 @@ 45: error norm4 2.738394e-04 (should not be zero) 45: 45: testing cross product< std::complex , std::complex > -45: timer: project 0.01s 0.01s -45: timer: compress 0.03s 0.03s +45: timer: project 0.02s 0.02s +45: timer: compress 0.01s 0.01s 45: error norm1 0.000000e+00 45: 45: error norm2 0.000000e+00 @@ -5719,73 +5755,73 @@ 45: error norm4 1.169653e-03 (should not be zero) 45: 45: testing rot operator< double , double > -45: timer: project 0.13s 0.13s -45: timer: compress 0.05s 0.05s +45: timer: project 0.11s 0.11s +45: timer: compress 0.04s 0.04s 45: error norm1 5.791588e-05 45: 45: error norm2 3.808435e-05 45: 45: testing rot operator< std::complex , std::complex > -45: timer: project 0.08s 0.08s -45: timer: compress 0.02s 0.02s +45: timer: project 0.15s 0.15s +45: timer: compress 0.01s 0.01s 45: error norm1 2.874658e-16 45: 45: error norm2 8.636784e-07 45: 45: error in multi_to_multi 2.490368e-15 1.568688e+00 2.313399e+00 45: testing matrix_inner< double , std::complex > sym = false -45: timer: project 0.16s 0.16s -45: timer: compress 0.08s 0.08s -45: timer: new 0.05s 0.05s -45: timer: old 9.14s 9.14s -45: error norm 4.014848e-15 +45: timer: project 0.26s 0.26s +45: timer: compress 0.07s 0.07s +45: timer: new 0.04s 0.04s +45: timer: old 7.25s 7.25s +45: error norm 3.637694e-15 45: 45: testing matrix_inner< std::complex , double > sym = false -45: timer: project 0.12s 0.12s -45: timer: compress 0.05s 0.05s +45: timer: project 0.19s 0.19s +45: timer: compress 0.07s 0.07s 45: timer: new 0.03s 0.03s -45: timer: old 6.07s 6.07s -45: error norm 3.617392e-15 +45: timer: old 6.74s 6.74s +45: error norm 3.617397e-15 45: 45: testing matrix_inner< std::complex , std::complex > sym = false -45: timer: project 0.14s 0.14s -45: timer: compress 0.08s 0.08s -45: timer: new 0.04s 0.04s -45: timer: old 6.81s 6.81s -45: error norm 4.426464e-15 +45: timer: project 0.13s 0.13s +45: timer: compress 0.05s 0.05s +45: timer: new 0.05s 0.05s +45: timer: old 4.83s 4.83s +45: error norm 4.577830e-15 45: 45: testing matrix_inner< std::complex , std::complex > sym = true -45: timer: project 0.08s 0.08s -45: timer: compress 0.02s 0.02s -45: timer: new 0.02s 0.02s -45: timer: old 3.39s 3.39s -45: error norm 4.673543e-15 +45: timer: project 0.07s 0.07s +45: timer: compress 0.04s 0.04s +45: timer: new 0.04s 0.04s +45: timer: old 2.29s 2.29s +45: error norm 4.094793e-15 45: 45: MADNESS runtime finalized but 1 world still exists -45/56 Test #45: mra-testvmra ............................***Timeout 1500.16 sec +45/56 Test #45: mra-testvmra ............................***Timeout 1500.24 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 small test : 0 errors in add 3.704781e-06 3.704781e-06 3.704781e-06 4.167008e-06 4.167008e-06 4.167008e-06 errors in add 3.704781e-06 3.704781e-06 3.704781e-06 4.167008e-06 4.167008e-06 4.167008e-06 testing matrix_inner< double , double > sym = false -timer: project 0.14s 0.14s -timer: compress 0.05s 0.05s -timer: new 0.10s 0.10s -timer: old 7.91s 7.91s -error norm 3.523862e-15 +timer: project 0.22s 0.22s +timer: compress 0.06s 0.06s +timer: new 0.06s 0.06s +timer: old 6.56s 6.56s +error norm 2.560283e-15 testing matrix_inner< double , double > sym = true -timer: project 0.08s 0.08s -timer: compress 0.03s 0.03s -timer: new 0.03s 0.03s -timer: old 4.49s 4.49s +timer: project 0.18s 0.18s +timer: compress 0.06s 0.06s +timer: new 0.07s 0.07s +timer: old 3.66s 3.66s error norm 1.059654e-06 error in multi_to_multi 1.618096e-15 1.710986e+00 2.430324e+00 error in multi_to_multi 1.925602e-15 1.559791e+00 2.247142e+00 testing cross product< double , double > -timer: project 0.01s 0.01s -timer: compress 0.06s 0.06s +timer: project 0.03s 0.03s +timer: compress 0.04s 0.04s error norm1 0.000000e+00 error norm2 0.000000e+00 @@ -5795,8 +5831,8 @@ error norm4 7.750007e-04 (should not be zero) testing cross product< std::complex , double > -timer: project 0.05s 0.05s -timer: compress 0.04s 0.04s +timer: project 0.04s 0.04s +timer: compress 0.02s 0.02s error norm1 0.000000e+00 error norm2 0.000000e+00 @@ -5806,8 +5842,8 @@ error norm4 2.738394e-04 (should not be zero) testing cross product< std::complex , std::complex > -timer: project 0.01s 0.01s -timer: compress 0.03s 0.03s +timer: project 0.02s 0.02s +timer: compress 0.01s 0.01s error norm1 0.000000e+00 error norm2 0.000000e+00 @@ -5817,47 +5853,47 @@ error norm4 1.169653e-03 (should not be zero) testing rot operator< double , double > -timer: project 0.13s 0.13s -timer: compress 0.05s 0.05s +timer: project 0.11s 0.11s +timer: compress 0.04s 0.04s error norm1 5.791588e-05 error norm2 3.808435e-05 testing rot operator< std::complex , std::complex > -timer: project 0.08s 0.08s -timer: compress 0.02s 0.02s +timer: project 0.15s 0.15s +timer: compress 0.01s 0.01s error norm1 2.874658e-16 error norm2 8.636784e-07 error in multi_to_multi 2.490368e-15 1.568688e+00 2.313399e+00 testing matrix_inner< double , std::complex > sym = false -timer: project 0.16s 0.16s -timer: compress 0.08s 0.08s -timer: new 0.05s 0.05s -timer: old 9.14s 9.14s -error norm 4.014848e-15 +timer: project 0.26s 0.26s +timer: compress 0.07s 0.07s +timer: new 0.04s 0.04s +timer: old 7.25s 7.25s +error norm 3.637694e-15 testing matrix_inner< std::complex , double > sym = false -timer: project 0.12s 0.12s -timer: compress 0.05s 0.05s +timer: project 0.19s 0.19s +timer: compress 0.07s 0.07s timer: new 0.03s 0.03s -timer: old 6.07s 6.07s -error norm 3.617392e-15 +timer: old 6.74s 6.74s +error norm 3.617397e-15 testing matrix_inner< std::complex , std::complex > sym = false -timer: project 0.14s 0.14s -timer: compress 0.08s 0.08s -timer: new 0.04s 0.04s -timer: old 6.81s 6.81s -error norm 4.426464e-15 +timer: project 0.13s 0.13s +timer: compress 0.05s 0.05s +timer: new 0.05s 0.05s +timer: old 4.83s 4.83s +error norm 4.577830e-15 testing matrix_inner< std::complex , std::complex > sym = true -timer: project 0.08s 0.08s -timer: compress 0.02s 0.02s -timer: new 0.02s 0.02s -timer: old 3.39s 3.39s -error norm 4.673543e-15 +timer: project 0.07s 0.07s +timer: compress 0.04s 0.04s +timer: new 0.04s 0.04s +timer: old 2.29s 2.29s +error norm 4.094793e-15 MADNESS runtime finalized but 1 world still exists @@ -6110,7 +6146,7 @@ 46: gmake[4]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 46: gmake[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 46: -46/56 Test #46: build_mra_sepop_unittests ............... Passed 356.28 sec +46/56 Test #46: build_mra_sepop_unittests ............... Passed 168.64 sec test 47 Start 47: mra_sepop-testsuite @@ -6126,9 +6162,9 @@ 47: number of processors ... 1 47: processor frequency ... 2.39435e+09 47: host system ... Linux -47: configured by ... pbuilder1 -47: configured on ... ionos5-amd64 -47: configured at ... 2022-01-02T04:20:22 +47: configured by ... pbuilder2 +47: configured on ... i-capture-the-hostname +47: configured at ... 2022-01-03T06:20:22 47: CXX ... /usr/bin/c++ 47: CXXFLAGS ... -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 47: tuning for ... default @@ -6479,7 +6515,7 @@ 47: timer: project 0.00s 0.00s 47: f norm is 1.00000000e+00 47: f total error 5.36725532e-11 -47: timer: apply 0.03s 0.03s +47: timer: apply 0.01s 0.01s 47: numeric at origin 8.51674586e-01 47: analytic at origin 8.51674586e-01 47: op*f norm is 5.49100487e-01 @@ -7035,7 +7071,7 @@ 47: timer: project 0.00s 0.00s 47: timer: compress 0.00s 0.00s 47: timer: truncate 0.00s 0.00s -47: timer: reconstruct 0.00s 0.00s +47: timer: reconstruct 0.01s 0.01s 47: doing axis 0 47: timer: diff 0.00s 0.00s 47: timer: err 0.00s 0.00s @@ -7048,7 +7084,7 @@ 47: timer: project 0.00s 0.00s 47: f norm is 1.00000000e+00 47: f total error 5.36725531e-11 -47: timer: apply 0.03s 0.03s +47: timer: apply 0.02s 0.02s 47: numeric at origin 4.25837293e-01+-7.37571827e-01j 47: analytic at origin 4.25837293e-01+-7.37571827e-01j 47: op*f norm is 5.49100487e-01 @@ -7595,28 +7631,28 @@ 47: note that differentiation does not preserve the accuracy 47: in this particular case the threshold in loosened by a factor of 40 47: -47: timer: project 0.11s 0.11s -47: timer: compress 0.01s 0.01s +47: timer: project 0.00s 0.00s +47: timer: compress 0.02s 0.02s 47: timer: truncate 0.00s 0.00s 47: timer: reconstruct 0.00s 0.00s 47: doing axis 0 -47: timer: diff 0.01s 0.01s -47: timer: err 0.01s 0.01s +47: timer: diff 0.02s 0.02s +47: timer: err 0.02s 0.02s 47: test_diff : 660 : err in test_diff : 6.65e-09 < 1.10e-08 : OK 47: error 6.64550318e-09 47: doing axis 1 -47: timer: diff 0.05s 0.05s -47: timer: err 0.03s 0.03s +47: timer: diff 0.01s 0.01s +47: timer: err 0.00s 0.00s 47: test_diff : 660 : err in test_diff : 6.65e-09 < 1.10e-08 : OK 47: error 6.64550289e-09 47: 47: Test separated operators - type = double , ndim = 2 47: 47: test_rnlp OK -47: timer: project 0.00s 0.00s +47: timer: project 0.03s 0.03s 47: f norm is 1.00000000e+00 47: f total error 2.30397738e-10 -47: timer: apply 0.07s 0.07s +47: timer: apply 0.02s 0.02s 47: numeric at origin 7.25349601e-01 47: analytic at origin 7.25349601e-01 47: op*f norm is 3.01511345e-01 @@ -8118,33 +8154,33 @@ 47: note that differentiation does not preserve the accuracy 47: in this particular case the threshold in loosened by a factor of 40 47: -47: timer: project 0.20s 0.20s -47: timer: compress 0.08s 0.08s +47: timer: project 0.09s 0.09s +47: timer: compress 0.03s 0.03s 47: timer: truncate 0.02s 0.02s -47: timer: reconstruct 0.04s 0.04s +47: timer: reconstruct 0.03s 0.03s 47: doing axis 0 -47: timer: diff 0.09s 0.09s -47: timer: err 0.07s 0.07s +47: timer: diff 0.04s 0.04s +47: timer: err 0.06s 0.06s 47: test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK 47: error 1.04688288e-08 47: doing axis 1 -47: timer: diff 0.15s 0.15s -47: timer: err 0.08s 0.08s +47: timer: diff 0.07s 0.07s +47: timer: err 0.03s 0.03s 47: test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK 47: error 1.04688290e-08 47: doing axis 2 47: timer: diff 0.07s 0.07s -47: timer: err 0.07s 0.07s +47: timer: err 0.04s 0.04s 47: test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK 47: error 1.04688286e-08 47: 47: Test separated operators - type = double , ndim = 3 47: 47: test_rnlp OK -47: timer: project 0.23s 0.23s +47: timer: project 0.13s 0.13s 47: f norm is 1.00000000e+00 47: f total error 5.40466946e-10 -47: timer: apply 0.56s 0.56s +47: timer: apply 0.29s 0.29s 47: numeric at origin 6.17761821e-01 47: analytic at origin 6.17761821e-01 47: op*f norm is 1.65560026e-01 @@ -8153,16 +8189,16 @@ 47: 47: Test Coulomb operator - type = double , ndim = 3 (only) 47: -47: timer: project 0.16s 0.16s +47: timer: project 0.11s 0.11s 47: f norm is 7.96828940e+00 47: f total error 3.50098300e-08 47: test_coulomb : 845 : test_coulomb 1 : 3.50e-08 < 1.00e-07 : OK -47: timer: nonstandard 0.14s 0.14s +47: timer: nonstandard 0.07s 0.07s 47: 47: before operator 47: -47: timer: apply 5.97s 5.97s -47: timer: reconstruct result 0.08s 0.08s +47: timer: apply 3.05s 3.05s +47: timer: reconstruct result 0.05s 0.05s 47: numeric at origin 1.12837917e+01 47: analytic at origin 1.12837917e+01 47: op*f norm is 1.23376952e+01 @@ -8450,15 +8486,15 @@ 47: Thread pool statistics (min / avg / max) 47: ---------------------- 47: #tasks per node 2.92e+06 / 2.92e+06 / 2.92e+06 -47: #max q len per node 1.65e+04 / 1.65e+04 / 1.65e+04 +47: #max q len per node 1.16e+04 / 1.16e+04 / 1.16e+04 47: #hi-pri tasks per node 3.28e+05 / 3.28e+05 / 3.28e+05 47: -47: Total wall time 204.9s -47: Total cpu time 204.9s +47: Total wall time 80.9s +47: Total cpu time 80.9s 47: 47: testsuite passed: true 47: -47/56 Test #47: mra_sepop-testsuite .....................***Timeout 1500.45 sec +47/56 Test #47: mra_sepop-testsuite .....................***Timeout 1500.20 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -------------------------------------------- @@ -8468,9 +8504,9 @@ number of processors ... 1 processor frequency ... 2.39435e+09 host system ... Linux - configured by ... pbuilder1 - configured on ... ionos5-amd64 - configured at ... 2022-01-02T04:20:22 + configured by ... pbuilder2 + configured on ... i-capture-the-hostname + configured at ... 2022-01-03T06:20:22 CXX ... /usr/bin/c++ CXXFLAGS ... -g -O2 -ffile-prefix-map=/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -std=c++17 tuning for ... default @@ -8821,7 +8857,7 @@ timer: project 0.00s 0.00s f norm is 1.00000000e+00 f total error 5.36725532e-11 -timer: apply 0.03s 0.03s +timer: apply 0.01s 0.01s numeric at origin 8.51674586e-01 analytic at origin 8.51674586e-01 op*f norm is 5.49100487e-01 @@ -9377,7 +9413,7 @@ timer: project 0.00s 0.00s timer: compress 0.00s 0.00s timer: truncate 0.00s 0.00s -timer: reconstruct 0.00s 0.00s +timer: reconstruct 0.01s 0.01s doing axis 0 timer: diff 0.00s 0.00s timer: err 0.00s 0.00s @@ -9390,7 +9426,7 @@ timer: project 0.00s 0.00s f norm is 1.00000000e+00 f total error 5.36725531e-11 -timer: apply 0.03s 0.03s +timer: apply 0.02s 0.02s numeric at origin 4.25837293e-01+-7.37571827e-01j analytic at origin 4.25837293e-01+-7.37571827e-01j op*f norm is 5.49100487e-01 @@ -9937,28 +9973,28 @@ note that differentiation does not preserve the accuracy in this particular case the threshold in loosened by a factor of 40 -timer: project 0.11s 0.11s -timer: compress 0.01s 0.01s +timer: project 0.00s 0.00s +timer: compress 0.02s 0.02s timer: truncate 0.00s 0.00s timer: reconstruct 0.00s 0.00s doing axis 0 -timer: diff 0.01s 0.01s -timer: err 0.01s 0.01s +timer: diff 0.02s 0.02s +timer: err 0.02s 0.02s test_diff : 660 : err in test_diff : 6.65e-09 < 1.10e-08 : OK error 6.64550318e-09 doing axis 1 -timer: diff 0.05s 0.05s -timer: err 0.03s 0.03s +timer: diff 0.01s 0.01s +timer: err 0.00s 0.00s test_diff : 660 : err in test_diff : 6.65e-09 < 1.10e-08 : OK error 6.64550289e-09 Test separated operators - type = double , ndim = 2 test_rnlp OK -timer: project 0.00s 0.00s +timer: project 0.03s 0.03s f norm is 1.00000000e+00 f total error 2.30397738e-10 -timer: apply 0.07s 0.07s +timer: apply 0.02s 0.02s numeric at origin 7.25349601e-01 analytic at origin 7.25349601e-01 op*f norm is 3.01511345e-01 @@ -10460,33 +10496,33 @@ note that differentiation does not preserve the accuracy in this particular case the threshold in loosened by a factor of 40 -timer: project 0.20s 0.20s -timer: compress 0.08s 0.08s +timer: project 0.09s 0.09s +timer: compress 0.03s 0.03s timer: truncate 0.02s 0.02s -timer: reconstruct 0.04s 0.04s +timer: reconstruct 0.03s 0.03s doing axis 0 -timer: diff 0.09s 0.09s -timer: err 0.07s 0.07s +timer: diff 0.04s 0.04s +timer: err 0.06s 0.06s test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK error 1.04688288e-08 doing axis 1 -timer: diff 0.15s 0.15s -timer: err 0.08s 0.08s +timer: diff 0.07s 0.07s +timer: err 0.03s 0.03s test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK error 1.04688290e-08 doing axis 2 timer: diff 0.07s 0.07s -timer: err 0.07s 0.07s +timer: err 0.04s 0.04s test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK error 1.04688286e-08 Test separated operators - type = double , ndim = 3 test_rnlp OK -timer: project 0.23s 0.23s +timer: project 0.13s 0.13s f norm is 1.00000000e+00 f total error 5.40466946e-10 -timer: apply 0.56s 0.56s +timer: apply 0.29s 0.29s numeric at origin 6.17761821e-01 analytic at origin 6.17761821e-01 op*f norm is 1.65560026e-01 @@ -10495,16 +10531,16 @@ Test Coulomb operator - type = double , ndim = 3 (only) -timer: project 0.16s 0.16s +timer: project 0.11s 0.11s f norm is 7.96828940e+00 f total error 3.50098300e-08 test_coulomb : 845 : test_coulomb 1 : 3.50e-08 < 1.00e-07 : OK -timer: nonstandard 0.14s 0.14s +timer: nonstandard 0.07s 0.07s before operator -timer: apply 5.97s 5.97s -timer: reconstruct result 0.08s 0.08s +timer: apply 3.05s 3.05s +timer: reconstruct result 0.05s 0.05s numeric at origin 1.12837917e+01 analytic at origin 1.12837917e+01 op*f norm is 1.23376952e+01 @@ -10792,11 +10828,11 @@ Thread pool statistics (min / avg / max) ---------------------- #tasks per node 2.92e+06 / 2.92e+06 / 2.92e+06 - #max q len per node 1.65e+04 / 1.65e+04 / 1.65e+04 + #max q len per node 1.16e+04 / 1.16e+04 / 1.16e+04 #hi-pri tasks per node 3.28e+05 / 3.28e+05 / 3.28e+05 - Total wall time 204.9s - Total cpu time 204.9s + Total wall time 80.9s + Total cpu time 80.9s testsuite passed: true @@ -10912,7 +10948,7 @@ 48: 0.98 1.00000000 1.00134098 3.68e-03 48: 0.99 1.00000000 0.91527940 -6.07e-03 48: 1.00 1.00000000 0.47900442 -2.10e-02 -48/56 Test #48: mra_sepop-testper ....................... Passed 1.19 sec +48/56 Test #48: mra_sepop-testper ....................... Passed 0.78 sec test 49 Start 49: build_chem_unittests @@ -11327,7 +11363,7 @@ 49: gmake[4]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 49: gmake[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' 49: -49/56 Test #49: build_chem_unittests .................... Passed 584.96 sec +49/56 Test #49: build_chem_unittests .................... Passed 269.26 sec test 50 Start 50: chem-test_SCFOperators @@ -11351,11 +11387,11 @@ 50: 0.000000e+00 4.725086e-01 50: 0.000000e+00 4.725100e-01 50: 0.000000e+00 4.725094e-01 -50: a/symmetric algorithm error 2.775558e-17 +50: a/symmetric algorithm error 0.000000e+00 50: entering test_kinetic with dimension, type 2 d 50: 1.570796e+00 1.570797e+00 9.306384e-07 -50: : 9.019494e-17 -50: ff.norm2(), abs(ff.norms()) 1.107783e-01 1.107783e-01 1.107783e-01 +50: : -7.052974e-07 +50: ff.norm2(), abs(ff.norms()) 1.918737e-01 1.918737e-01 1.918737e-01 50: hermiticity error/translational invariance 50: abs err op(ij).normf() 50: 0.000000e+00 1.756205e+00 @@ -11363,15 +11399,15 @@ 50: 0.000000e+00 1.756209e+00 50: 0.000000e+00 1.584156e+00 50: 0.000000e+00 1.584155e+00 -50: 0.000000e+00 1.584156e+00 +50: 0.000000e+00 1.572525e+00 50: 0.000000e+00 7.855427e-01 50: 0.000000e+00 7.855455e-01 -50: 0.000000e+00 7.854454e-01 -50: a/symmetric algorithm error 7.850462e-17 +50: 0.000000e+00 7.855465e-01 +50: a/symmetric algorithm error 0.000000e+00 50: entering test_kinetic with dimension, type 3 d 50: 2.088123e+00 2.088130e+00 7.180624e-06 -50: : 2.514901e-17 -50: ff.norm2(), abs(ff.norms()) 1.042863e-01 1.042863e-01 1.042863e-01 +50: : 8.700181e-02 +50: ff.norm2(), abs(ff.norms()) 1.806292e-01 1.806292e-01 1.806292e-01 50: hermiticity error/translational invariance 50: abs err op(ij).normf() 50: 0.000000e+00 2.423686e+00 @@ -11380,10 +11416,10 @@ 50: 0.000000e+00 2.975555e+00 50: 0.000000e+00 2.954033e+00 50: 0.000000e+00 2.975556e+00 -50: 0.000000e+00 1.230469e+00 +50: 0.000000e+00 1.230446e+00 50: 0.000000e+00 1.230447e+00 -50: 0.000000e+00 1.230451e+00 -50: a/symmetric algorithm error 1.570092e-16 +50: 0.000000e+00 1.230545e+00 +50: a/symmetric algorithm error 0.000000e+00 50: 50: entering test_coulomb 50: thresh 1.000000e-05 @@ -11393,15 +11429,15 @@ 50: element, refelement, error 1.419488e+00 1.419487e+00 1.237576e-07 50: hermiticity error/translational invariance 50: abs err op(ij).normf() -50: 2.514601e-17 2.822515e+00 -50: 1.505866e-12 2.396730e+00 -50: 8.014660e-12 1.661708e+00 -50: 1.570092e-16 6.281618e+00 -50: 1.533293e-17 5.372221e+00 -50: 5.174429e-11 3.801220e+00 -50: 2.045988e-18 1.335820e+00 -50: 1.573374e-14 1.204648e+00 -50: 8.856596e-13 9.170496e-01 +50: 2.540476e-17 2.822515e+00 +50: 1.505885e-12 2.396730e+00 +50: 8.014615e-12 1.661708e+00 +50: 3.532708e-16 6.281618e+00 +50: 1.102307e-11 5.414726e+00 +50: 4.091237e-11 3.832495e+00 +50: 1.057733e-18 1.335804e+00 +50: 1.573312e-14 1.204648e+00 +50: 8.039123e-12 9.170528e-01 50: a/symmetric algorithm error 1.655203e-08 50: 50: entering test_exchange 1.000000e-05 d @@ -11410,16 +11446,16 @@ 50: diff in Kmat compared to hardwired result 1.884059e-07 50: hermiticity error/translational invariance 50: abs err op(ij).normf() -50: 1.530898e-17 2.370968e+00 -50: 6.986478e-10 1.192815e+00 -50: 1.427671e-10 2.093508e-01 -50: 2.815420e-17 5.960391e+00 -50: 4.559074e-10 3.295791e+00 -50: 4.280288e-11 5.631166e-01 -50: 2.365824e-20 2.263074e-01 -50: 2.597657e-10 3.040594e-01 +50: 6.935083e-17 2.370968e+00 +50: 6.986470e-10 1.192815e+00 +50: 1.427672e-10 2.093508e-01 +50: 2.566720e-11 6.001492e+00 +50: 1.118061e-09 3.269762e+00 +50: 1.867422e-10 5.588951e-01 +50: 1.077939e-19 2.263074e-01 +50: 1.943213e-10 3.040431e-01 50: 1.028689e-10 1.374549e-01 -50: a/symmetric algorithm error 2.777176e-10 +50: a/symmetric algorithm error 2.777177e-10 50: 50: entering test_XCOperator 1.000000e-06 50: xc functional lda 1.000000e-06 @@ -11504,7 +11540,7 @@ 50: ggatol 1.000000e-04 50: polarized false 50: -50: timer: Project vnuclear 0.73s 0.73s +50: timer: Project vnuclear 0.45s 0.45s 50: constructed nuclear correlation factor of the form 50: R = 1.000000e+00 50: with eprec 1.000000e-06 @@ -11534,7 +11570,7 @@ 50: ggatol 1.000000e-04 50: polarized false 50: -50: timer: Project vnuclear 0.93s 0.93s +50: timer: Project vnuclear 0.45s 0.45s 50: constructed nuclear correlation factor of the form 50: R = 1.000000e+00 50: with eprec 1.000000e-05 @@ -11690,7 +11726,7 @@ 50: 50: Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 50: -50: timer: Project vnuclear 0.44s 0.44s +50: timer: Project vnuclear 0.28s 0.28s 50: 50: constructed nuclear correlation factor of the form 50: S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 @@ -11698,35 +11734,35 @@ 50: with eprec 1.000000e-06 50: which is of Slater type 50: -50: timer: reproject ncf 1.25s 1.25s -50: timer: guess density 0.28s 0.28s -50: timer: guess Coulomb potn 1.97s 1.97s -50: timer: guess lda potn 0.36s 0.36s -50: timer: guess overlap 0.06s 0.06s +50: timer: reproject ncf 0.87s 0.87s +50: timer: guess density 0.16s 0.16s +50: timer: guess Coulomb potn 1.15s 1.15s +50: timer: guess lda potn 0.21s 0.21s +50: timer: guess overlap 0.03s 0.03s 50: timer: KEmat reconstruct 0.05s 0.05s -50: timer: KEmat differentiate 1.22s 1.22s -50: timer: KEmat compress 0.55s 0.55s -50: timer: KEmat inner products 0.25s 0.25s -50: timer: guess Kinet potn 2.08s 2.08s -50: timer: guess fock 0.80s 0.80s +50: timer: KEmat differentiate 0.25s 0.25s +50: timer: KEmat compress 0.14s 0.14s +50: timer: KEmat inner products 0.13s 0.13s +50: timer: guess Kinet potn 0.58s 0.58s +50: timer: guess fock 0.39s 0.39s 50: timer: guess eigen sol 0.00s 0.00s -50: timer: guess orbital groupi 0.10s 0.10s +50: timer: guess orbital groupi 0.08s 0.08s 50: -50: starting protocol at time 180.4s +50: starting protocol at time 101.5s 50: precision steps 1.000000e-04 --> 1.000000e-05 50: protocol: thresh 1.000000e-04 econv 1.000000e-04 dconv 1.000000e-03 50: -50: ending protocol at time 180.4s +50: ending protocol at time 101.5s 50: 50: Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 50: -50: timer: Boys localize 1.72s 1.72s +50: timer: Boys localize 0.85s 0.85s 50: orbital irreps [] 50: saving vector of functions nemo_it0 -50: timer: reconstruct psi 0.16s 0.16s -50: timer: compute Jnemo 2.32s 2.32s -50: timer: compute Knemo 5.35s 5.35s -50: timer: compute Unemo 0.0084 1.97s 1.97s +50: timer: reconstruct psi 0.13s 0.13s +50: timer: compute Jnemo 1.33s 1.33s +50: timer: compute Knemo 2.75s 2.75s +50: timer: compute Unemo 0.0084 1.20s 1.20s 50: 50: nuclear and kinetic -14.08868330 50: coulomb 6.69224417 @@ -11734,25 +11770,25 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.64190377 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.28s 1.28s +50: timer: compute energy 0.83s 0.83s 50: [-7.641904e+00, -1.408868e+01, 6.692244e+00, 0.000000e+00, -2.332421e+00, 0.000000e+00, 2.086957e+00] 50: [] 50: energy differences 2.645751e+00 -50: timer: make Vpsi 0.05s 0.05s -50: timer: transform Vpsi 0.47s 0.47s -50: timer: apply BSH 2.28s 2.28s +50: timer: make Vpsi 0.10s 0.10s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 0.94s 0.94s 50: norm of nemo and GVnemo; ratio 1.254213e+00 1.333517e+00 9.405303e-01 50: Norm of vector changes ab spin case : rms 8.753289e-02 max 1.224964e-01 -50: finished iteration 0 at time 199.1s with energy -7.64190377 +50: finished iteration 0 at time 112.2s with energy -7.64190377 50: current residual norm 1.181509e-01 50: -50: timer: Boys localize 1.41s 1.41s +50: timer: Boys localize 0.89s 0.89s 50: orbital irreps [] 50: saving vector of functions nemo_it1 -50: timer: reconstruct psi 0.25s 0.25s -50: timer: compute Jnemo 3.38s 3.38s -50: timer: compute Knemo 4.62s 4.62s -50: timer: compute Unemo 0.0066 1.75s 1.75s +50: timer: reconstruct psi 0.10s 0.10s +50: timer: compute Jnemo 1.20s 1.20s +50: timer: compute Knemo 2.99s 2.99s +50: timer: compute Unemo 0.0066 1.12s 1.12s 50: 50: nuclear and kinetic -13.98180598 50: coulomb 6.46498280 @@ -11760,25 +11796,25 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.69733945 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.78s 1.78s +50: timer: compute energy 1.01s 1.01s 50: [-7.697339e+00, -1.398181e+01, 6.464983e+00, 0.000000e+00, -2.267473e+00, 0.000000e+00, 2.086957e+00] 50: [-7.641904e+00, -1.408868e+01, 6.692244e+00, 0.000000e+00, -2.332421e+00, 0.000000e+00, 2.086957e+00] 50: energy differences 2.652582e-01 -50: timer: make Vpsi 0.11s 0.11s -50: timer: transform Vpsi 0.04s 0.04s -50: timer: apply BSH 1.50s 1.50s +50: timer: make Vpsi 0.07s 0.07s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 1.18s 1.18s 50: norm of nemo and GVnemo; ratio 1.265009e+00 1.271342e+00 9.950193e-01 50: Norm of vector changes ab spin case : rms 2.739713e-02 max 3.615801e-02 -50: finished iteration 1 at time 217.8s with energy -7.69733945 +50: finished iteration 1 at time 123.4s with energy -7.69733945 50: current residual norm 2.380522e-02 50: -50: timer: Boys localize 1.24s 1.24s +50: timer: Boys localize 0.92s 0.92s 50: orbital irreps [] 50: saving vector of functions nemo_it2 -50: timer: reconstruct psi 0.17s 0.17s -50: timer: compute Jnemo 2.11s 2.11s -50: timer: compute Knemo 6.81s 6.80s -50: timer: compute Unemo 0.0065 1.75s 1.75s +50: timer: reconstruct psi 0.15s 0.15s +50: timer: compute Jnemo 1.39s 1.39s +50: timer: compute Knemo 3.06s 3.06s +50: timer: compute Unemo 0.0065 1.12s 1.12s 50: 50: nuclear and kinetic -13.97656549 50: coulomb 6.44435091 @@ -11786,25 +11822,25 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.70304214 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.62s 1.62s +50: timer: compute energy 0.87s 0.87s 50: [-7.703042e+00, -1.397657e+01, 6.444351e+00, 0.000000e+00, -2.257784e+00, 0.000000e+00, 2.086957e+00] 50: [-7.697339e+00, -1.398181e+01, 6.464983e+00, 0.000000e+00, -2.267473e+00, 0.000000e+00, 2.086957e+00] 50: energy differences 2.407342e-02 -50: timer: make Vpsi 0.13s 0.13s -50: timer: transform Vpsi 0.03s 0.03s -50: timer: apply BSH 1.42s 1.42s +50: timer: make Vpsi 0.06s 0.06s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 0.81s 0.81s 50: norm of nemo and GVnemo; ratio 1.266347e+00 1.268490e+00 9.983101e-01 50: Norm of vector changes ab spin case : rms 1.652156e-02 max 2.272013e-02 -50: finished iteration 2 at time 237.8s with energy -7.70304214 +50: finished iteration 2 at time 134.4s with energy -7.70304214 50: current residual norm 9.503438e-03 50: -50: timer: Boys localize 1.17s 1.17s +50: timer: Boys localize 0.95s 0.95s 50: orbital irreps [] 50: saving vector of functions nemo_it3 -50: timer: reconstruct psi 0.16s 0.16s -50: timer: compute Jnemo 3.26s 3.26s -50: timer: compute Knemo 4.14s 4.14s -50: timer: compute Unemo 0.0065 3.48s 3.48s +50: timer: reconstruct psi 0.10s 0.10s +50: timer: compute Jnemo 1.41s 1.41s +50: timer: compute Knemo 2.57s 2.57s +50: timer: compute Unemo 0.0065 1.08s 1.08s 50: 50: nuclear and kinetic -13.96360872 50: coulomb 6.42197921 @@ -11812,25 +11848,25 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.70371832 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.70s 1.70s +50: timer: compute energy 0.90s 0.90s 50: [-7.703718e+00, -1.396361e+01, 6.421979e+00, 0.000000e+00, -2.249045e+00, 0.000000e+00, 2.086957e+00] 50: [-7.703042e+00, -1.397657e+01, 6.444351e+00, 0.000000e+00, -2.257784e+00, 0.000000e+00, 2.086957e+00] 50: energy differences 2.729824e-02 -50: timer: make Vpsi 0.17s 0.17s +50: timer: make Vpsi 0.08s 0.08s 50: timer: transform Vpsi 0.03s 0.03s -50: timer: apply BSH 1.29s 1.29s +50: timer: apply BSH 0.90s 0.90s 50: norm of nemo and GVnemo; ratio 1.267293e+00 1.267071e+00 1.000175e+00 50: Norm of vector changes ab spin case : rms 3.234865e-03 max 4.445415e-03 -50: finished iteration 3 at time 257.0s with energy -7.70371832 +50: finished iteration 3 at time 144.9s with energy -7.70371832 50: current residual norm 2.315478e-03 50: -50: timer: Boys localize 2.88s 2.88s +50: timer: Boys localize 0.88s 0.88s 50: orbital irreps [] 50: saving vector of functions nemo_it4 -50: timer: reconstruct psi 0.21s 0.21s -50: timer: compute Jnemo 2.17s 2.17s -50: timer: compute Knemo 6.51s 6.51s -50: timer: compute Unemo 0.0066 1.58s 1.58s +50: timer: reconstruct psi 0.15s 0.15s +50: timer: compute Jnemo 1.10s 1.10s +50: timer: compute Knemo 2.63s 2.63s +50: timer: compute Unemo 0.0066 1.11s 1.11s 50: 50: nuclear and kinetic -13.96316434 50: coulomb 6.42107659 @@ -11838,25 +11874,25 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.70375663 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.53s 1.53s +50: timer: compute energy 0.81s 0.81s 50: [-7.703757e+00, -1.396316e+01, 6.421077e+00, 0.000000e+00, -2.248625e+00, 0.000000e+00, 2.086957e+00] 50: [-7.703718e+00, -1.396361e+01, 6.421979e+00, 0.000000e+00, -2.249045e+00, 0.000000e+00, 2.086957e+00] 50: energy differences 1.090865e-03 -50: timer: make Vpsi 0.15s 0.15s +50: timer: make Vpsi 0.08s 0.08s 50: timer: transform Vpsi 0.02s 0.02s -50: timer: apply BSH 1.31s 1.31s +50: timer: apply BSH 0.82s 0.82s 50: norm of nemo and GVnemo; ratio 1.267255e+00 1.267307e+00 9.999592e-01 50: Norm of vector changes ab spin case : rms 2.492079e-03 max 3.456196e-03 -50: finished iteration 4 at time 278.8s with energy -7.70375663 +50: finished iteration 4 at time 154.9s with energy -7.70375663 50: current residual norm 1.061793e-03 50: -50: timer: Boys localize 1.40s 1.40s +50: timer: Boys localize 0.79s 0.79s 50: orbital irreps [] 50: saving vector of functions nemo_it5 -50: timer: reconstruct psi 0.17s 0.17s -50: timer: compute Jnemo 2.15s 2.15s -50: timer: compute Knemo 5.84s 5.84s -50: timer: compute Unemo 0.0066 2.12s 2.12s +50: timer: reconstruct psi 0.14s 0.14s +50: timer: compute Jnemo 1.41s 1.41s +50: timer: compute Knemo 3.19s 3.19s +50: timer: compute Unemo 0.0066 1.05s 1.05s 50: 50: nuclear and kinetic -13.96269793 50: coulomb 6.42039679 @@ -11864,16 +11900,16 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.70376211 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.59s 1.59s +50: timer: compute energy 2.71s 2.71s 50: [-7.703762e+00, -1.396270e+01, 6.420397e+00, 0.000000e+00, -2.248417e+00, 0.000000e+00, 2.086957e+00] 50: [-7.703757e+00, -1.396316e+01, 6.421077e+00, 0.000000e+00, -2.248625e+00, 0.000000e+00, 2.086957e+00] 50: energy differences 8.502505e-04 -50: timer: make Vpsi 2.11s 2.11s -50: timer: transform Vpsi 0.05s 0.05s -50: timer: apply BSH 1.62s 1.62s +50: timer: make Vpsi 0.17s 0.17s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 0.89s 0.89s 50: norm of nemo and GVnemo; ratio 1.267257e+00 1.267387e+00 9.998980e-01 50: Norm of vector changes ab spin case : rms 1.156972e-03 max 1.599103e-03 -50: finished iteration 5 at time 301.4s with energy -7.70376211 +50: finished iteration 5 at time 167.8s with energy -7.70376211 50: current residual norm 4.787442e-04 50: 50: @@ -11881,19 +11917,19 @@ 50: 50: protocol: thresh 1.000000e-05 econv 1.000000e-05 dconv 1.000000e-04 50: -50: ending protocol at time 301.6s +50: ending protocol at time 167.8s 50: 50: Solving NDIM= 3 with thresh 1.000000e-05 k 8 conv 1.000000e-04 50: -50: timer: Project vnuclear 0.86s 0.86s -50: timer: reproject ncf 3.76s 3.76s -50: timer: Boys localize 1.95s 1.95s +50: timer: Project vnuclear 0.60s 0.60s +50: timer: reproject ncf 1.19s 1.19s +50: timer: Boys localize 1.04s 1.04s 50: orbital irreps [] 50: saving vector of functions nemo_it0 -50: timer: reconstruct psi 0.23s 0.23s -50: timer: compute Jnemo 5.48s 5.48s -50: timer: compute Knemo 7.94s 7.94s -50: timer: compute Unemo 0.0083 2.04s 2.04s +50: timer: reconstruct psi 0.20s 0.20s +50: timer: compute Jnemo 2.21s 2.21s +50: timer: compute Knemo 3.73s 3.73s +50: timer: compute Unemo 0.0083 1.25s 1.25s 50: 50: nuclear and kinetic -13.96262876 50: coulomb 6.42051954 @@ -11901,25 +11937,25 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.70376783 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.21s 1.21s +50: timer: compute energy 1.55s 1.55s 50: [-7.703768e+00, -1.396263e+01, 6.420520e+00, 0.000000e+00, -2.248615e+00, 0.000000e+00, 2.086957e+00] 50: [] 50: energy differences 2.645751e+00 50: timer: make Vpsi 0.07s 0.07s 50: timer: transform Vpsi 0.02s 0.02s -50: timer: apply BSH 2.11s 2.11s +50: timer: apply BSH 1.23s 1.23s 50: norm of nemo and GVnemo; ratio 1.267262e+00 1.267366e+00 9.999186e-01 50: Norm of vector changes ab spin case : rms 2.678340e-04 max 3.341488e-04 -50: finished iteration 0 at time 332.5s with energy -7.70376783 +50: finished iteration 0 at time 183.9s with energy -7.70376783 50: current residual norm 2.822050e-04 50: -50: timer: Boys localize 1.54s 1.54s +50: timer: Boys localize 1.10s 1.10s 50: orbital irreps [] 50: saving vector of functions nemo_it1 -50: timer: reconstruct psi 0.16s 0.16s -50: timer: compute Jnemo 3.03s 3.03s -50: timer: compute Knemo 7.86s 7.86s -50: timer: compute Unemo 0.0083 1.94s 1.94s +50: timer: reconstruct psi 0.12s 0.12s +50: timer: compute Jnemo 1.98s 1.98s +50: timer: compute Knemo 4.74s 4.74s +50: timer: compute Unemo 0.0083 1.04s 1.04s 50: 50: nuclear and kinetic -13.96248412 50: coulomb 6.42019093 @@ -11927,25 +11963,25 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.70383527 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.84s 1.84s +50: timer: compute energy 0.98s 0.98s 50: [-7.703835e+00, -1.396248e+01, 6.420191e+00, 0.000000e+00, -2.248499e+00, 0.000000e+00, 2.086957e+00] 50: [-7.703768e+00, -1.396263e+01, 6.420520e+00, 0.000000e+00, -2.248615e+00, 0.000000e+00, 2.086957e+00] 50: energy differences 3.834452e-04 -50: timer: make Vpsi 0.18s 0.18s -50: timer: transform Vpsi 0.02s 0.02s -50: timer: apply BSH 2.57s 2.57s +50: timer: make Vpsi 0.03s 0.03s +50: timer: transform Vpsi 0.03s 0.03s +50: timer: apply BSH 1.50s 1.50s 50: norm of nemo and GVnemo; ratio 1.267274e+00 1.267307e+00 9.999743e-01 50: Norm of vector changes ab spin case : rms 1.762192e-04 max 2.395964e-04 -50: finished iteration 1 at time 361.0s with energy -7.70383527 +50: finished iteration 1 at time 197.8s with energy -7.70383527 50: current residual norm 1.288193e-04 50: -50: timer: Boys localize 1.80s 1.80s +50: timer: Boys localize 0.90s 0.90s 50: orbital irreps [] 50: saving vector of functions nemo_it2 -50: timer: reconstruct psi 0.19s 0.19s -50: timer: compute Jnemo 5.54s 5.54s -50: timer: compute Knemo 5.48s 5.48s -50: timer: compute Unemo 0.0083 3.92s 3.92s +50: timer: reconstruct psi 0.14s 0.14s +50: timer: compute Jnemo 2.43s 2.43s +50: timer: compute Knemo 3.68s 3.68s +50: timer: compute Unemo 0.0083 1.24s 1.24s 50: 50: nuclear and kinetic -13.96240443 50: coulomb 6.42007371 @@ -11953,33 +11989,33 @@ 50: nuclear-repulsion 2.08695652 50: regularized energy -7.70383558 50: buggy if hybrid functionals are used.. -50: timer: compute energy 1.93s 1.93s +50: timer: compute energy 1.12s 1.12s 50: [-7.703836e+00, -1.396240e+01, 6.420074e+00, 0.000000e+00, -2.248461e+00, 0.000000e+00, 2.086957e+00] 50: [-7.703835e+00, -1.396248e+01, 6.420191e+00, 0.000000e+00, -2.248499e+00, 0.000000e+00, 2.086957e+00] 50: energy differences 1.465588e-04 -50: timer: make Vpsi 0.16s 0.16s -50: timer: transform Vpsi 0.05s 0.05s -50: timer: apply BSH 4.51s 4.51s +50: timer: make Vpsi 0.07s 0.07s +50: timer: transform Vpsi 0.04s 0.04s +50: timer: apply BSH 1.49s 1.49s 50: norm of nemo and GVnemo; ratio 1.267279e+00 1.267300e+00 9.999839e-01 50: Norm of vector changes ab spin case : rms 1.564782e-04 max 2.153923e-04 -50: finished iteration 2 at time 388.4s with energy -7.70383558 +50: finished iteration 2 at time 211.3s with energy -7.70383558 50: current residual norm 7.087364e-05 50: 50: 50: Iterations converged 50: 50: -50: ending protocol at time 388.5s +50: ending protocol at time 211.3s 50: 50: Dipole Moment (a.u.) 50: ----------- 50: 50: x: -1.916948e+00 -50: y: 3.339808e-13 +50: y: 3.244780e-13 50: z: 3.058093e-13 50: Total Dipole Moment: 1.916948e+00 50: -50: timer: dipole 0.11s 0.11s +50: timer: dipole 0.07s 0.07s 50: Nemo Orbital Energies: [*] -2.46579798 -0.34379191 50: 50: energy(LiH) -7.703836e+00 @@ -11987,7 +12023,7 @@ 50: tests passed 50: 50: MADNESS runtime finalized but 1 world still exists -50/56 Test #50: chem-test_SCFOperators ..................***Timeout 1500.62 sec +50/56 Test #50: chem-test_SCFOperators ..................***Timeout 1500.16 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 small test : false entering test_kinetic with dimension, type 1 d @@ -12005,11 +12041,11 @@ 0.000000e+00 4.725086e-01 0.000000e+00 4.725100e-01 0.000000e+00 4.725094e-01 -a/symmetric algorithm error 2.775558e-17 +a/symmetric algorithm error 0.000000e+00 entering test_kinetic with dimension, type 2 d 1.570796e+00 1.570797e+00 9.306384e-07 - : 9.019494e-17 -ff.norm2(), abs(ff.norms()) 1.107783e-01 1.107783e-01 1.107783e-01 + : -7.052974e-07 +ff.norm2(), abs(ff.norms()) 1.918737e-01 1.918737e-01 1.918737e-01 hermiticity error/translational invariance abs err op(ij).normf() 0.000000e+00 1.756205e+00 @@ -12017,15 +12053,15 @@ 0.000000e+00 1.756209e+00 0.000000e+00 1.584156e+00 0.000000e+00 1.584155e+00 -0.000000e+00 1.584156e+00 +0.000000e+00 1.572525e+00 0.000000e+00 7.855427e-01 0.000000e+00 7.855455e-01 -0.000000e+00 7.854454e-01 -a/symmetric algorithm error 7.850462e-17 +0.000000e+00 7.855465e-01 +a/symmetric algorithm error 0.000000e+00 entering test_kinetic with dimension, type 3 d 2.088123e+00 2.088130e+00 7.180624e-06 - : 2.514901e-17 -ff.norm2(), abs(ff.norms()) 1.042863e-01 1.042863e-01 1.042863e-01 + : 8.700181e-02 +ff.norm2(), abs(ff.norms()) 1.806292e-01 1.806292e-01 1.806292e-01 hermiticity error/translational invariance abs err op(ij).normf() 0.000000e+00 2.423686e+00 @@ -12034,10 +12070,10 @@ 0.000000e+00 2.975555e+00 0.000000e+00 2.954033e+00 0.000000e+00 2.975556e+00 -0.000000e+00 1.230469e+00 +0.000000e+00 1.230446e+00 0.000000e+00 1.230447e+00 -0.000000e+00 1.230451e+00 -a/symmetric algorithm error 1.570092e-16 +0.000000e+00 1.230545e+00 +a/symmetric algorithm error 0.000000e+00 entering test_coulomb thresh 1.000000e-05 @@ -12047,15 +12083,15 @@ element, refelement, error 1.419488e+00 1.419487e+00 1.237576e-07 hermiticity error/translational invariance abs err op(ij).normf() -2.514601e-17 2.822515e+00 -1.505866e-12 2.396730e+00 -8.014660e-12 1.661708e+00 -1.570092e-16 6.281618e+00 -1.533293e-17 5.372221e+00 -5.174429e-11 3.801220e+00 -2.045988e-18 1.335820e+00 -1.573374e-14 1.204648e+00 -8.856596e-13 9.170496e-01 +2.540476e-17 2.822515e+00 +1.505885e-12 2.396730e+00 +8.014615e-12 1.661708e+00 +3.532708e-16 6.281618e+00 +1.102307e-11 5.414726e+00 +4.091237e-11 3.832495e+00 +1.057733e-18 1.335804e+00 +1.573312e-14 1.204648e+00 +8.039123e-12 9.170528e-01 a/symmetric algorithm error 1.655203e-08 entering test_exchange 1.000000e-05 d @@ -12064,16 +12100,16 @@ diff in Kmat compared to hardwired result 1.884059e-07 hermiticity error/translational invariance abs err op(ij).normf() -1.530898e-17 2.370968e+00 -6.986478e-10 1.192815e+00 -1.427671e-10 2.093508e-01 -2.815420e-17 5.960391e+00 -4.559074e-10 3.295791e+00 -4.280288e-11 5.631166e-01 -2.365824e-20 2.263074e-01 -2.597657e-10 3.040594e-01 +6.935083e-17 2.370968e+00 +6.986470e-10 1.192815e+00 +1.427672e-10 2.093508e-01 +2.566720e-11 6.001492e+00 +1.118061e-09 3.269762e+00 +1.867422e-10 5.588951e-01 +1.077939e-19 2.263074e-01 +1.943213e-10 3.040431e-01 1.028689e-10 1.374549e-01 -a/symmetric algorithm error 2.777176e-10 +a/symmetric algorithm error 2.777177e-10 entering test_XCOperator 1.000000e-06 xc functional lda 1.000000e-06 @@ -12158,7 +12194,7 @@ ggatol 1.000000e-04 polarized false -timer: Project vnuclear 0.73s 0.73s +timer: Project vnuclear 0.45s 0.45s constructed nuclear correlation factor of the form R = 1.000000e+00 with eprec 1.000000e-06 @@ -12188,7 +12224,7 @@ ggatol 1.000000e-04 polarized false -timer: Project vnuclear 0.93s 0.93s +timer: Project vnuclear 0.45s 0.45s constructed nuclear correlation factor of the form R = 1.000000e+00 with eprec 1.000000e-05 @@ -12344,7 +12380,7 @@ Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 -timer: Project vnuclear 0.44s 0.44s +timer: Project vnuclear 0.28s 0.28s constructed nuclear correlation factor of the form S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 @@ -12352,35 +12388,35 @@ with eprec 1.000000e-06 which is of Slater type -timer: reproject ncf 1.25s 1.25s -timer: guess density 0.28s 0.28s -timer: guess Coulomb potn 1.97s 1.97s -timer: guess lda potn 0.36s 0.36s -timer: guess overlap 0.06s 0.06s +timer: reproject ncf 0.87s 0.87s +timer: guess density 0.16s 0.16s +timer: guess Coulomb potn 1.15s 1.15s +timer: guess lda potn 0.21s 0.21s +timer: guess overlap 0.03s 0.03s timer: KEmat reconstruct 0.05s 0.05s -timer: KEmat differentiate 1.22s 1.22s -timer: KEmat compress 0.55s 0.55s -timer: KEmat inner products 0.25s 0.25s -timer: guess Kinet potn 2.08s 2.08s -timer: guess fock 0.80s 0.80s +timer: KEmat differentiate 0.25s 0.25s +timer: KEmat compress 0.14s 0.14s +timer: KEmat inner products 0.13s 0.13s +timer: guess Kinet potn 0.58s 0.58s +timer: guess fock 0.39s 0.39s timer: guess eigen sol 0.00s 0.00s -timer: guess orbital groupi 0.10s 0.10s +timer: guess orbital groupi 0.08s 0.08s -starting protocol at time 180.4s +starting protocol at time 101.5s precision steps 1.000000e-04 --> 1.000000e-05 protocol: thresh 1.000000e-04 econv 1.000000e-04 dconv 1.000000e-03 -ending protocol at time 180.4s +ending protocol at time 101.5s Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 -timer: Boys localize 1.72s 1.72s +timer: Boys localize 0.85s 0.85s orbital irreps [] saving vector of functions nemo_it0 -timer: reconstruct psi 0.16s 0.16s -timer: compute Jnemo 2.32s 2.32s -timer: compute Knemo 5.35s 5.35s -timer: compute Unemo 0.0084 1.97s 1.97s +timer: reconstruct psi 0.13s 0.13s +timer: compute Jnemo 1.33s 1.33s +timer: compute Knemo 2.75s 2.75s +timer: compute Unemo 0.0084 1.20s 1.20s nuclear and kinetic -14.08868330 coulomb 6.69224417 @@ -12388,25 +12424,25 @@ nuclear-repulsion 2.08695652 regularized energy -7.64190377 buggy if hybrid functionals are used.. -timer: compute energy 1.28s 1.28s +timer: compute energy 0.83s 0.83s [-7.641904e+00, -1.408868e+01, 6.692244e+00, 0.000000e+00, -2.332421e+00, 0.000000e+00, 2.086957e+00] [] energy differences 2.645751e+00 -timer: make Vpsi 0.05s 0.05s -timer: transform Vpsi 0.47s 0.47s -timer: apply BSH 2.28s 2.28s +timer: make Vpsi 0.10s 0.10s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 0.94s 0.94s norm of nemo and GVnemo; ratio 1.254213e+00 1.333517e+00 9.405303e-01 Norm of vector changes ab spin case : rms 8.753289e-02 max 1.224964e-01 -finished iteration 0 at time 199.1s with energy -7.64190377 +finished iteration 0 at time 112.2s with energy -7.64190377 current residual norm 1.181509e-01 -timer: Boys localize 1.41s 1.41s +timer: Boys localize 0.89s 0.89s orbital irreps [] saving vector of functions nemo_it1 -timer: reconstruct psi 0.25s 0.25s -timer: compute Jnemo 3.38s 3.38s -timer: compute Knemo 4.62s 4.62s -timer: compute Unemo 0.0066 1.75s 1.75s +timer: reconstruct psi 0.10s 0.10s +timer: compute Jnemo 1.20s 1.20s +timer: compute Knemo 2.99s 2.99s +timer: compute Unemo 0.0066 1.12s 1.12s nuclear and kinetic -13.98180598 coulomb 6.46498280 @@ -12414,25 +12450,25 @@ nuclear-repulsion 2.08695652 regularized energy -7.69733945 buggy if hybrid functionals are used.. -timer: compute energy 1.78s 1.78s +timer: compute energy 1.01s 1.01s [-7.697339e+00, -1.398181e+01, 6.464983e+00, 0.000000e+00, -2.267473e+00, 0.000000e+00, 2.086957e+00] [-7.641904e+00, -1.408868e+01, 6.692244e+00, 0.000000e+00, -2.332421e+00, 0.000000e+00, 2.086957e+00] energy differences 2.652582e-01 -timer: make Vpsi 0.11s 0.11s -timer: transform Vpsi 0.04s 0.04s -timer: apply BSH 1.50s 1.50s +timer: make Vpsi 0.07s 0.07s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 1.18s 1.18s norm of nemo and GVnemo; ratio 1.265009e+00 1.271342e+00 9.950193e-01 Norm of vector changes ab spin case : rms 2.739713e-02 max 3.615801e-02 -finished iteration 1 at time 217.8s with energy -7.69733945 +finished iteration 1 at time 123.4s with energy -7.69733945 current residual norm 2.380522e-02 -timer: Boys localize 1.24s 1.24s +timer: Boys localize 0.92s 0.92s orbital irreps [] saving vector of functions nemo_it2 -timer: reconstruct psi 0.17s 0.17s -timer: compute Jnemo 2.11s 2.11s -timer: compute Knemo 6.81s 6.80s -timer: compute Unemo 0.0065 1.75s 1.75s +timer: reconstruct psi 0.15s 0.15s +timer: compute Jnemo 1.39s 1.39s +timer: compute Knemo 3.06s 3.06s +timer: compute Unemo 0.0065 1.12s 1.12s nuclear and kinetic -13.97656549 coulomb 6.44435091 @@ -12440,25 +12476,25 @@ nuclear-repulsion 2.08695652 regularized energy -7.70304214 buggy if hybrid functionals are used.. -timer: compute energy 1.62s 1.62s +timer: compute energy 0.87s 0.87s [-7.703042e+00, -1.397657e+01, 6.444351e+00, 0.000000e+00, -2.257784e+00, 0.000000e+00, 2.086957e+00] [-7.697339e+00, -1.398181e+01, 6.464983e+00, 0.000000e+00, -2.267473e+00, 0.000000e+00, 2.086957e+00] energy differences 2.407342e-02 -timer: make Vpsi 0.13s 0.13s -timer: transform Vpsi 0.03s 0.03s -timer: apply BSH 1.42s 1.42s +timer: make Vpsi 0.06s 0.06s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 0.81s 0.81s norm of nemo and GVnemo; ratio 1.266347e+00 1.268490e+00 9.983101e-01 Norm of vector changes ab spin case : rms 1.652156e-02 max 2.272013e-02 -finished iteration 2 at time 237.8s with energy -7.70304214 +finished iteration 2 at time 134.4s with energy -7.70304214 current residual norm 9.503438e-03 -timer: Boys localize 1.17s 1.17s +timer: Boys localize 0.95s 0.95s orbital irreps [] saving vector of functions nemo_it3 -timer: reconstruct psi 0.16s 0.16s -timer: compute Jnemo 3.26s 3.26s -timer: compute Knemo 4.14s 4.14s -timer: compute Unemo 0.0065 3.48s 3.48s +timer: reconstruct psi 0.10s 0.10s +timer: compute Jnemo 1.41s 1.41s +timer: compute Knemo 2.57s 2.57s +timer: compute Unemo 0.0065 1.08s 1.08s nuclear and kinetic -13.96360872 coulomb 6.42197921 @@ -12466,25 +12502,25 @@ nuclear-repulsion 2.08695652 regularized energy -7.70371832 buggy if hybrid functionals are used.. -timer: compute energy 1.70s 1.70s +timer: compute energy 0.90s 0.90s [-7.703718e+00, -1.396361e+01, 6.421979e+00, 0.000000e+00, -2.249045e+00, 0.000000e+00, 2.086957e+00] [-7.703042e+00, -1.397657e+01, 6.444351e+00, 0.000000e+00, -2.257784e+00, 0.000000e+00, 2.086957e+00] energy differences 2.729824e-02 -timer: make Vpsi 0.17s 0.17s +timer: make Vpsi 0.08s 0.08s timer: transform Vpsi 0.03s 0.03s -timer: apply BSH 1.29s 1.29s +timer: apply BSH 0.90s 0.90s norm of nemo and GVnemo; ratio 1.267293e+00 1.267071e+00 1.000175e+00 Norm of vector changes ab spin case : rms 3.234865e-03 max 4.445415e-03 -finished iteration 3 at time 257.0s with energy -7.70371832 +finished iteration 3 at time 144.9s with energy -7.70371832 current residual norm 2.315478e-03 -timer: Boys localize 2.88s 2.88s +timer: Boys localize 0.88s 0.88s orbital irreps [] saving vector of functions nemo_it4 -timer: reconstruct psi 0.21s 0.21s -timer: compute Jnemo 2.17s 2.17s -timer: compute Knemo 6.51s 6.51s -timer: compute Unemo 0.0066 1.58s 1.58s +timer: reconstruct psi 0.15s 0.15s +timer: compute Jnemo 1.10s 1.10s +timer: compute Knemo 2.63s 2.63s +timer: compute Unemo 0.0066 1.11s 1.11s nuclear and kinetic -13.96316434 coulomb 6.42107659 @@ -12492,25 +12528,25 @@ nuclear-repulsion 2.08695652 regularized energy -7.70375663 buggy if hybrid functionals are used.. -timer: compute energy 1.53s 1.53s +timer: compute energy 0.81s 0.81s [-7.703757e+00, -1.396316e+01, 6.421077e+00, 0.000000e+00, -2.248625e+00, 0.000000e+00, 2.086957e+00] [-7.703718e+00, -1.396361e+01, 6.421979e+00, 0.000000e+00, -2.249045e+00, 0.000000e+00, 2.086957e+00] energy differences 1.090865e-03 -timer: make Vpsi 0.15s 0.15s +timer: make Vpsi 0.08s 0.08s timer: transform Vpsi 0.02s 0.02s -timer: apply BSH 1.31s 1.31s +timer: apply BSH 0.82s 0.82s norm of nemo and GVnemo; ratio 1.267255e+00 1.267307e+00 9.999592e-01 Norm of vector changes ab spin case : rms 2.492079e-03 max 3.456196e-03 -finished iteration 4 at time 278.8s with energy -7.70375663 +finished iteration 4 at time 154.9s with energy -7.70375663 current residual norm 1.061793e-03 -timer: Boys localize 1.40s 1.40s +timer: Boys localize 0.79s 0.79s orbital irreps [] saving vector of functions nemo_it5 -timer: reconstruct psi 0.17s 0.17s -timer: compute Jnemo 2.15s 2.15s -timer: compute Knemo 5.84s 5.84s -timer: compute Unemo 0.0066 2.12s 2.12s +timer: reconstruct psi 0.14s 0.14s +timer: compute Jnemo 1.41s 1.41s +timer: compute Knemo 3.19s 3.19s +timer: compute Unemo 0.0066 1.05s 1.05s nuclear and kinetic -13.96269793 coulomb 6.42039679 @@ -12518,16 +12554,16 @@ nuclear-repulsion 2.08695652 regularized energy -7.70376211 buggy if hybrid functionals are used.. -timer: compute energy 1.59s 1.59s +timer: compute energy 2.71s 2.71s [-7.703762e+00, -1.396270e+01, 6.420397e+00, 0.000000e+00, -2.248417e+00, 0.000000e+00, 2.086957e+00] [-7.703757e+00, -1.396316e+01, 6.421077e+00, 0.000000e+00, -2.248625e+00, 0.000000e+00, 2.086957e+00] energy differences 8.502505e-04 -timer: make Vpsi 2.11s 2.11s -timer: transform Vpsi 0.05s 0.05s -timer: apply BSH 1.62s 1.62s +timer: make Vpsi 0.17s 0.17s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 0.89s 0.89s norm of nemo and GVnemo; ratio 1.267257e+00 1.267387e+00 9.998980e-01 Norm of vector changes ab spin case : rms 1.156972e-03 max 1.599103e-03 -finished iteration 5 at time 301.4s with energy -7.70376211 +finished iteration 5 at time 167.8s with energy -7.70376211 current residual norm 4.787442e-04 @@ -12535,19 +12571,19 @@ protocol: thresh 1.000000e-05 econv 1.000000e-05 dconv 1.000000e-04 -ending protocol at time 301.6s +ending protocol at time 167.8s Solving NDIM= 3 with thresh 1.000000e-05 k 8 conv 1.000000e-04 -timer: Project vnuclear 0.86s 0.86s -timer: reproject ncf 3.76s 3.76s -timer: Boys localize 1.95s 1.95s +timer: Project vnuclear 0.60s 0.60s +timer: reproject ncf 1.19s 1.19s +timer: Boys localize 1.04s 1.04s orbital irreps [] saving vector of functions nemo_it0 -timer: reconstruct psi 0.23s 0.23s -timer: compute Jnemo 5.48s 5.48s -timer: compute Knemo 7.94s 7.94s -timer: compute Unemo 0.0083 2.04s 2.04s +timer: reconstruct psi 0.20s 0.20s +timer: compute Jnemo 2.21s 2.21s +timer: compute Knemo 3.73s 3.73s +timer: compute Unemo 0.0083 1.25s 1.25s nuclear and kinetic -13.96262876 coulomb 6.42051954 @@ -12555,25 +12591,25 @@ nuclear-repulsion 2.08695652 regularized energy -7.70376783 buggy if hybrid functionals are used.. -timer: compute energy 1.21s 1.21s +timer: compute energy 1.55s 1.55s [-7.703768e+00, -1.396263e+01, 6.420520e+00, 0.000000e+00, -2.248615e+00, 0.000000e+00, 2.086957e+00] [] energy differences 2.645751e+00 timer: make Vpsi 0.07s 0.07s timer: transform Vpsi 0.02s 0.02s -timer: apply BSH 2.11s 2.11s +timer: apply BSH 1.23s 1.23s norm of nemo and GVnemo; ratio 1.267262e+00 1.267366e+00 9.999186e-01 Norm of vector changes ab spin case : rms 2.678340e-04 max 3.341488e-04 -finished iteration 0 at time 332.5s with energy -7.70376783 +finished iteration 0 at time 183.9s with energy -7.70376783 current residual norm 2.822050e-04 -timer: Boys localize 1.54s 1.54s +timer: Boys localize 1.10s 1.10s orbital irreps [] saving vector of functions nemo_it1 -timer: reconstruct psi 0.16s 0.16s -timer: compute Jnemo 3.03s 3.03s -timer: compute Knemo 7.86s 7.86s -timer: compute Unemo 0.0083 1.94s 1.94s +timer: reconstruct psi 0.12s 0.12s +timer: compute Jnemo 1.98s 1.98s +timer: compute Knemo 4.74s 4.74s +timer: compute Unemo 0.0083 1.04s 1.04s nuclear and kinetic -13.96248412 coulomb 6.42019093 @@ -12581,25 +12617,25 @@ nuclear-repulsion 2.08695652 regularized energy -7.70383527 buggy if hybrid functionals are used.. -timer: compute energy 1.84s 1.84s +timer: compute energy 0.98s 0.98s [-7.703835e+00, -1.396248e+01, 6.420191e+00, 0.000000e+00, -2.248499e+00, 0.000000e+00, 2.086957e+00] [-7.703768e+00, -1.396263e+01, 6.420520e+00, 0.000000e+00, -2.248615e+00, 0.000000e+00, 2.086957e+00] energy differences 3.834452e-04 -timer: make Vpsi 0.18s 0.18s -timer: transform Vpsi 0.02s 0.02s -timer: apply BSH 2.57s 2.57s +timer: make Vpsi 0.03s 0.03s +timer: transform Vpsi 0.03s 0.03s +timer: apply BSH 1.50s 1.50s norm of nemo and GVnemo; ratio 1.267274e+00 1.267307e+00 9.999743e-01 Norm of vector changes ab spin case : rms 1.762192e-04 max 2.395964e-04 -finished iteration 1 at time 361.0s with energy -7.70383527 +finished iteration 1 at time 197.8s with energy -7.70383527 current residual norm 1.288193e-04 -timer: Boys localize 1.80s 1.80s +timer: Boys localize 0.90s 0.90s orbital irreps [] saving vector of functions nemo_it2 -timer: reconstruct psi 0.19s 0.19s -timer: compute Jnemo 5.54s 5.54s -timer: compute Knemo 5.48s 5.48s -timer: compute Unemo 0.0083 3.92s 3.92s +timer: reconstruct psi 0.14s 0.14s +timer: compute Jnemo 2.43s 2.43s +timer: compute Knemo 3.68s 3.68s +timer: compute Unemo 0.0083 1.24s 1.24s nuclear and kinetic -13.96240443 coulomb 6.42007371 @@ -12607,33 +12643,33 @@ nuclear-repulsion 2.08695652 regularized energy -7.70383558 buggy if hybrid functionals are used.. -timer: compute energy 1.93s 1.93s +timer: compute energy 1.12s 1.12s [-7.703836e+00, -1.396240e+01, 6.420074e+00, 0.000000e+00, -2.248461e+00, 0.000000e+00, 2.086957e+00] [-7.703835e+00, -1.396248e+01, 6.420191e+00, 0.000000e+00, -2.248499e+00, 0.000000e+00, 2.086957e+00] energy differences 1.465588e-04 -timer: make Vpsi 0.16s 0.16s -timer: transform Vpsi 0.05s 0.05s -timer: apply BSH 4.51s 4.51s +timer: make Vpsi 0.07s 0.07s +timer: transform Vpsi 0.04s 0.04s +timer: apply BSH 1.49s 1.49s norm of nemo and GVnemo; ratio 1.267279e+00 1.267300e+00 9.999839e-01 Norm of vector changes ab spin case : rms 1.564782e-04 max 2.153923e-04 -finished iteration 2 at time 388.4s with energy -7.70383558 +finished iteration 2 at time 211.3s with energy -7.70383558 current residual norm 7.087364e-05 Iterations converged -ending protocol at time 388.5s +ending protocol at time 211.3s Dipole Moment (a.u.) ----------- x: -1.916948e+00 - y: 3.339808e-13 + y: 3.244780e-13 z: 3.058093e-13 Total Dipole Moment: 1.916948e+00 -timer: dipole 0.11s 0.11s +timer: dipole 0.07s 0.07s Nemo Orbital Energies: [*] -2.46579798 -0.34379191 energy(LiH) -7.703836e+00 @@ -12658,7 +12694,7 @@ 51: tests passed 51: 51: MADNESS runtime finalized but 1 world still exists -51/56 Test #51: chem-test_dft ...........................***Timeout 1500.17 sec +51/56 Test #51: chem-test_dft ...........................***Timeout 1500.28 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 xc energy: -2.466562e-03 xc energy via potential: -2.466562e-03 @@ -12696,7 +12732,7 @@ 52: point group c2 52: irrep a 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.818518e-16 +52: operator, character, norm C_2(z) 1 2.818952e-16 52: irrep b 52: operator, character, norm identity 1 0.000000e+00 52: operator, character, norm C_2(z) -1 2.902846e-16 @@ -12725,9 +12761,9 @@ 52: operator, character, norm sigma_yz -1 2.308789e-16 52: irrep b2 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 3.126730e-16 -52: operator, character, norm sigma_xz -1 2.263481e-16 -52: operator, character, norm sigma_yz 1 2.833528e-16 +52: operator, character, norm C_2(z) -1 3.128876e-16 +52: operator, character, norm sigma_xz -1 2.257795e-16 +52: operator, character, norm sigma_yz 1 2.828708e-16 52: point group c2h 52: irrep ag 52: operator, character, norm identity 1 0.000000e+00 @@ -12736,9 +12772,9 @@ 52: operator, character, norm sigma_xy 1 2.270167e-16 52: irrep bg 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 2.899658e-16 -52: operator, character, norm inversion 1 3.224409e-16 -52: operator, character, norm sigma_xy -1 2.124900e-16 +52: operator, character, norm C_2(z) -1 2.898196e-16 +52: operator, character, norm inversion 1 3.220583e-16 +52: operator, character, norm sigma_xy -1 2.119661e-16 52: irrep au 52: operator, character, norm identity 1 0.000000e+00 52: operator, character, norm C_2(z) 1 2.870865e-16 @@ -12791,22 +12827,22 @@ 52: operator, character, norm sigma_yz -1 2.575528e-16 52: irrep b1g 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.894955e-16 -52: operator, character, norm C_2(y) -1 3.059930e-16 -52: operator, character, norm C_2(x) -1 2.820691e-16 -52: operator, character, norm inversion 1 3.386283e-16 -52: operator, character, norm sigma_xy 1 2.425163e-16 -52: operator, character, norm sigma_xz -1 2.124835e-16 -52: operator, character, norm sigma_yz -1 2.562957e-16 +52: operator, character, norm C_2(z) 1 2.895662e-16 +52: operator, character, norm C_2(y) -1 3.059128e-16 +52: operator, character, norm C_2(x) -1 2.824194e-16 +52: operator, character, norm inversion 1 3.385869e-16 +52: operator, character, norm sigma_xy 1 2.426833e-16 +52: operator, character, norm sigma_xz -1 2.125181e-16 +52: operator, character, norm sigma_yz -1 2.562767e-16 52: irrep b1u 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.868265e-16 -52: operator, character, norm C_2(y) -1 2.680927e-16 -52: operator, character, norm C_2(x) -1 2.796758e-16 -52: operator, character, norm inversion -1 3.128206e-16 -52: operator, character, norm sigma_xy -1 1.967634e-16 -52: operator, character, norm sigma_xz 1 2.396049e-16 -52: operator, character, norm sigma_yz 1 2.377844e-16 +52: operator, character, norm C_2(z) 1 2.870570e-16 +52: operator, character, norm C_2(y) -1 2.682686e-16 +52: operator, character, norm C_2(x) -1 2.798381e-16 +52: operator, character, norm inversion -1 3.129936e-16 +52: operator, character, norm sigma_xy -1 1.969029e-16 +52: operator, character, norm sigma_xz 1 2.397942e-16 +52: operator, character, norm sigma_yz 1 2.380155e-16 52: irrep b2g 52: operator, character, norm identity 1 0.000000e+00 52: operator, character, norm C_2(z) -1 2.594145e-16 @@ -12893,7 +12929,7 @@ 52: .. all good 52: result 0 52: MADNESS runtime finalized but 1 world still exists -52/56 Test #52: chem-test_pointgroupsymmetry ............***Timeout 1500.16 sec +52/56 Test #52: chem-test_pointgroupsymmetry ............***Timeout 1500.21 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 test operator multiplications 2D .. all good @@ -12914,7 +12950,7 @@ point group c2 irrep a operator, character, norm identity 1 0.000000e+00 - operator, character, norm C_2(z) 1 2.818518e-16 + operator, character, norm C_2(z) 1 2.818952e-16 irrep b operator, character, norm identity 1 0.000000e+00 operator, character, norm C_2(z) -1 2.902846e-16 @@ -12943,9 +12979,9 @@ operator, character, norm sigma_yz -1 2.308789e-16 irrep b2 operator, character, norm identity 1 0.000000e+00 - operator, character, norm C_2(z) -1 3.126730e-16 - operator, character, norm sigma_xz -1 2.263481e-16 - operator, character, norm sigma_yz 1 2.833528e-16 + operator, character, norm C_2(z) -1 3.128876e-16 + operator, character, norm sigma_xz -1 2.257795e-16 + operator, character, norm sigma_yz 1 2.828708e-16 point group c2h irrep ag operator, character, norm identity 1 0.000000e+00 @@ -12954,9 +12990,9 @@ operator, character, norm sigma_xy 1 2.270167e-16 irrep bg operator, character, norm identity 1 0.000000e+00 - operator, character, norm C_2(z) -1 2.899658e-16 - operator, character, norm inversion 1 3.224409e-16 - operator, character, norm sigma_xy -1 2.124900e-16 + operator, character, norm C_2(z) -1 2.898196e-16 + operator, character, norm inversion 1 3.220583e-16 + operator, character, norm sigma_xy -1 2.119661e-16 irrep au operator, character, norm identity 1 0.000000e+00 operator, character, norm C_2(z) 1 2.870865e-16 @@ -13009,22 +13045,22 @@ operator, character, norm sigma_yz -1 2.575528e-16 irrep b1g operator, character, norm identity 1 0.000000e+00 - operator, character, norm C_2(z) 1 2.894955e-16 - operator, character, norm C_2(y) -1 3.059930e-16 - operator, character, norm C_2(x) -1 2.820691e-16 - operator, character, norm inversion 1 3.386283e-16 - operator, character, norm sigma_xy 1 2.425163e-16 - operator, character, norm sigma_xz -1 2.124835e-16 - operator, character, norm sigma_yz -1 2.562957e-16 + operator, character, norm C_2(z) 1 2.895662e-16 + operator, character, norm C_2(y) -1 3.059128e-16 + operator, character, norm C_2(x) -1 2.824194e-16 + operator, character, norm inversion 1 3.385869e-16 + operator, character, norm sigma_xy 1 2.426833e-16 + operator, character, norm sigma_xz -1 2.125181e-16 + operator, character, norm sigma_yz -1 2.562767e-16 irrep b1u operator, character, norm identity 1 0.000000e+00 - operator, character, norm C_2(z) 1 2.868265e-16 - operator, character, norm C_2(y) -1 2.680927e-16 - operator, character, norm C_2(x) -1 2.796758e-16 - operator, character, norm inversion -1 3.128206e-16 - operator, character, norm sigma_xy -1 1.967634e-16 - operator, character, norm sigma_xz 1 2.396049e-16 - operator, character, norm sigma_yz 1 2.377844e-16 + operator, character, norm C_2(z) 1 2.870570e-16 + operator, character, norm C_2(y) -1 2.682686e-16 + operator, character, norm C_2(x) -1 2.798381e-16 + operator, character, norm inversion -1 3.129936e-16 + operator, character, norm sigma_xy -1 1.969029e-16 + operator, character, norm sigma_xz 1 2.397942e-16 + operator, character, norm sigma_yz 1 2.380155e-16 irrep b2g operator, character, norm identity 1 0.000000e+00 operator, character, norm C_2(z) -1 2.594145e-16 @@ -13122,20 +13158,20 @@ 53: 53: test masks_and_boxes 53: -53: starting at time 0.0 +53: starting at time 0.1 53: deviation, tightness, r, maxed(r) 1.000000e-03 3.058998e+01 8.000000e+00 7.999281e+00 7.193347e-04 53: entering test_spherical_box -53: sbox with deviation 1e.-2 at time 3.7s: norm/tree/real/size: 110.65827 29769, 0.022, 0.099 GByte +53: sbox with deviation 1e.-2 at time 6.3s: norm/tree/real/size: 110.65827 29769, 0.022, 0.099 GByte 53: deviation, actual, expect,error 1.000000e-02 9.999998e-01 9.900000e-01 9.999764e-03 -53/56 Test #53: chem-test_masks_and_boxes ...............***Timeout 1500.15 sec +53/56 Test #53: chem-test_masks_and_boxes ...............***Timeout 1500.14 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 test masks_and_boxes -starting at time 0.0 +starting at time 0.1 deviation, tightness, r, maxed(r) 1.000000e-03 3.058998e+01 8.000000e+00 7.999281e+00 7.193347e-04 entering test_spherical_box - sbox with deviation 1e.-2 at time 3.7s: norm/tree/real/size: 110.65827 29769, 0.022, 0.099 GByte + sbox with deviation 1e.-2 at time 6.3s: norm/tree/real/size: 110.65827 29769, 0.022, 0.099 GByte deviation, actual, expect,error 1.000000e-02 9.999998e-01 9.900000e-01 9.999764e-03 test 54 @@ -13194,10 +13230,10 @@ 54: entering test_empty_lines 54: entering test_derived 54: -54: finished at time 0.7s +54: finished at time 1.7s 54: 54: MADNESS runtime finalized but 1 world still exists -54/56 Test #54: chem-test_QCCalculationParametersBase ...***Timeout 1500.15 sec +54/56 Test #54: chem-test_QCCalculationParametersBase ...***Timeout 1500.16 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 defined parameters econv 1.0000e-04 # defined recommended values: 1.e-4 < econv < 1.e-8 @@ -13248,7 +13284,7 @@ entering test_empty_lines entering test_derived -finished at time 0.7s +finished at time 1.7s MADNESS runtime finalized but 1 world still exists @@ -13272,7 +13308,7 @@ 55: print_level 1 # defined 0: no output; 1: final energy; 2: iterations; 3: timings; 10: debug 55: 55: energy(LiH) -7.696558e+00 -55/56 Test #55: chem-test_qc ............................***Timeout 1500.21 sec +55/56 Test #55: chem-test_qc ............................***Timeout 1500.18 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 save false # defined if true save orbitals to disk print_level 1 # defined 0: no output; 1: final energy; 2: iterations; 3: timings; 10: debug @@ -13309,40 +13345,40 @@ 56: 56: Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 56: -56: timer: Project vnuclear 0.35s 0.35s -56: timer: guess density 0.12s 0.12s -56: timer: guess Coulomb potn 1.59s 1.59s -56: timer: guess lda potn 0.36s 0.36s -56: timer: guess overlap 0.03s 0.03s -56: timer: KEmat reconstruct 0.05s 0.05s -56: timer: KEmat differentiate 0.45s 0.45s -56: timer: KEmat compress 0.12s 0.12s -56: timer: KEmat inner products 0.19s 0.19s -56: timer: guess Kinet potn 0.84s 0.84s -56: timer: guess fock 0.42s 0.42s +56: timer: Project vnuclear 0.26s 0.26s +56: timer: guess density 0.11s 0.11s +56: timer: guess Coulomb potn 1.37s 1.37s +56: timer: guess lda potn 0.24s 0.24s +56: timer: guess overlap 0.02s 0.02s +56: timer: KEmat reconstruct 0.04s 0.04s +56: timer: KEmat differentiate 0.35s 0.35s +56: timer: KEmat compress 0.07s 0.07s +56: timer: KEmat inner products 0.16s 0.16s +56: timer: guess Kinet potn 0.63s 0.63s +56: timer: guess fock 0.30s 0.30s 56: timer: guess eigen sol 0.00s 0.00s -56: timer: guess orbital groupi 0.10s 0.10s +56: timer: guess orbital groupi 0.05s 0.05s 56: 56: Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 56: -56: timer: Project vnuclear 0.42s 0.42s +56: timer: Project vnuclear 0.34s 0.34s 56: -56: Iteration 0 at time 8.4s +56: Iteration 0 at time 8.0s 56: -56: timer: Pipek-Mezy new 0.01s 0.01s -56: timer: Make densities 0.07s 0.07s +56: timer: Pipek-Mezy new 0.06s 0.06s +56: timer: Make densities 0.08s 0.08s 56: timer: Load balancing 0.00s 0.00s -56: timer: Nuclear energy 0.05s 0.05s -56: timer: Coulomb 1.18s 1.18s -56: timer: V*psi 0.07s 0.07s -56: timer: HF exchange 1.80s 1.80s -56: timer: Truncate Vpsi 0.03s 0.03s -56: timer: PE matrix 0.04s 0.04s -56: timer: KEmat reconstruct 0.02s 0.02s -56: timer: KEmat differentiate 0.13s 0.13s -56: timer: KEmat compress 0.03s 0.03s -56: timer: KEmat inner products 0.07s 0.07s -56: timer: KE matrix 0.25s 0.25s +56: timer: Nuclear energy 0.03s 0.03s +56: timer: Coulomb 0.81s 0.81s +56: timer: V*psi 0.08s 0.08s +56: timer: HF exchange 1.63s 1.63s +56: timer: Truncate Vpsi 0.01s 0.01s +56: timer: PE matrix 0.03s 0.03s +56: timer: KEmat reconstruct 0.03s 0.03s +56: timer: KEmat differentiate 0.08s 0.08s +56: timer: KEmat compress 0.02s 0.02s +56: timer: KEmat inner products 0.10s 0.10s +56: timer: KE matrix 0.24s 0.24s 56: timer: Make fock matrix res 0.00s 0.00s 56: 56: kinetic 9.00436527 @@ -13354,34 +13390,34 @@ 56: nuclear-repulsion 2.08695652 56: total -7.64479540 56: -56: timer: Compute residual stu 0.04s 0.04s -56: timer: Apply BSH 0.54s 0.54s -56: timer: Truncate new psi 0.18s 0.18s +56: timer: Compute residual stu 0.03s 0.03s +56: timer: Apply BSH 0.46s 0.46s +56: timer: Truncate new psi 0.07s 0.07s 56: residuals [1.852805e-02, 1.557243e-01] 56: BSH residual: rms 1.108903e-01 max 1.557243e-01 -56: timer: BSH residual 0.03s 0.03s -56: timer: Update subspace stuf 0.07s 0.07s +56: timer: BSH residual 0.04s 0.04s +56: timer: Update subspace stuf 0.04s 0.04s 56: timer: Subspace transform 0.00s 0.00s 56: Norm of vector changes alpha : rms 1.108903e-01 max 1.557243e-01 -56: timer: Orthonormalize 0.21s 0.21s +56: timer: Orthonormalize 0.16s 0.16s 56: -56: Iteration 1 at time 13.5s +56: Iteration 1 at time 12.1s 56: -56: timer: Pipek-Mezy new 0.03s 0.03s -56: timer: Make densities 0.05s 0.05s +56: timer: Pipek-Mezy new 0.05s 0.05s +56: timer: Make densities 0.06s 0.06s 56: timer: Load balancing 0.00s 0.00s 56: delta rho 4.250193e-02 4.250193e-02 residuals 1.557243e-01 0.000000e+00 -56: timer: Nuclear energy 0.03s 0.03s -56: timer: Coulomb 0.86s 0.86s +56: timer: Nuclear energy 0.02s 0.02s +56: timer: Coulomb 0.79s 0.79s 56: timer: V*psi 0.08s 0.08s -56: timer: HF exchange 3.42s 3.42s -56: timer: Truncate Vpsi 0.06s 0.06s -56: timer: PE matrix 0.06s 0.06s -56: timer: KEmat reconstruct 0.04s 0.04s -56: timer: KEmat differentiate 0.13s 0.13s +56: timer: HF exchange 1.63s 1.63s +56: timer: Truncate Vpsi 0.04s 0.04s +56: timer: PE matrix 0.05s 0.05s +56: timer: KEmat reconstruct 0.02s 0.02s +56: timer: KEmat differentiate 0.09s 0.09s 56: timer: KEmat compress 0.04s 0.04s -56: timer: KEmat inner products 0.17s 0.17s -56: timer: KE matrix 0.38s 0.38s +56: timer: KEmat inner products 0.15s 0.15s +56: timer: KE matrix 0.32s 0.32s 56: timer: Make fock matrix res 0.00s 0.00s 56: 56: kinetic 8.68594569 @@ -13393,7 +13429,7 @@ 56: nuclear-repulsion 2.08695652 56: total -7.69515189 56: -56: timer: Overlap 0.06s 0.06s +56: timer: Overlap 0.05s 0.05s 56: timer: focka eigen sol 0.00s 0.00s 56: 56: alpha eigenvalues @@ -13403,16 +13439,16 @@ 56: Dipole Moment (a.u.) 56: ----------- 56: -56: x: 6.964092e-12 -56: y: 6.949667e-12 +56: x: 6.954292e-12 +56: y: 6.944999e-12 56: z: -1.945799e+00 56: Total Dipole Moment: 1.945799e+00 56: -56: timer: dipole 0.03s 0.03s +56: timer: dipole 0.02s 0.02s 56: Orbitals are localized - energies are diagonal Fock matrix elements 56: 56: Analysis of alpha MO vectors -56: timer: Analyze vectors 1.08s 1.08s +56: timer: Analyze vectors 0.77s 0.77s 56: timer: Compute eigen gesv a 0.00s 0.00s 56: MO 0 : occ=1.00 : energy= -2.44294955 : ncoeff=1.19e+05:center=(-0.00,-0.00,-0.37) : radius=0.70 56: Li(0) s( 0)-1.017 @@ -13437,40 +13473,40 @@ 56: 56: Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 56: -56: timer: Project vnuclear 0.30s 0.30s -56: timer: guess density 0.12s 0.12s -56: timer: guess Coulomb potn 1.10s 1.10s -56: timer: guess lda potn 0.17s 0.17s -56: timer: guess overlap 0.02s 0.02s -56: timer: KEmat reconstruct 0.05s 0.05s -56: timer: KEmat differentiate 0.20s 0.20s +56: timer: Project vnuclear 0.25s 0.25s +56: timer: guess density 0.10s 0.10s +56: timer: guess Coulomb potn 1.18s 1.18s +56: timer: guess lda potn 0.22s 0.22s +56: timer: guess overlap 0.05s 0.05s +56: timer: KEmat reconstruct 0.06s 0.06s +56: timer: KEmat differentiate 0.28s 0.28s 56: timer: KEmat compress 0.06s 0.06s -56: timer: KEmat inner products 0.08s 0.08s -56: timer: guess Kinet potn 0.39s 0.39s -56: timer: guess fock 0.37s 0.37s +56: timer: KEmat inner products 0.11s 0.11s +56: timer: guess Kinet potn 0.52s 0.52s +56: timer: guess fock 0.50s 0.50s 56: timer: guess eigen sol 0.00s 0.00s -56: timer: guess orbital groupi 0.07s 0.07s +56: timer: guess orbital groupi 0.05s 0.05s 56: 56: Solving NDIM= 3 with thresh 1.000000e-03 k 6 conv 1.000000e-03 56: -56: timer: Project vnuclear 0.37s 0.37s +56: timer: Project vnuclear 0.24s 0.24s 56: -56: Iteration 0 at time 26.9s +56: Iteration 0 at time 21.7s 56: -56: timer: Pipek-Mezy new 0.03s 0.03s -56: timer: Make densities 0.04s 0.04s +56: timer: Pipek-Mezy new 0.05s 0.05s +56: timer: Make densities 0.07s 0.07s 56: timer: Load balancing 0.00s 0.00s -56: timer: Nuclear energy 0.02s 0.02s -56: timer: Coulomb 0.48s 0.48s -56: timer: V*psi 0.10s 0.10s -56: timer: HF exchange 1.05s 1.05s -56: timer: Truncate Vpsi 0.01s 0.01s -56: timer: PE matrix 0.02s 0.02s +56: timer: Nuclear energy 0.04s 0.04s +56: timer: Coulomb 0.34s 0.34s +56: timer: V*psi 0.08s 0.08s +56: timer: HF exchange 1.01s 1.01s +56: timer: Truncate Vpsi 0.02s 0.02s +56: timer: PE matrix 0.03s 0.03s 56: timer: KEmat reconstruct 0.02s 0.02s 56: timer: KEmat differentiate 0.07s 0.07s 56: timer: KEmat compress 0.03s 0.03s 56: timer: KEmat inner products 0.07s 0.07s -56: timer: KE matrix 0.19s 0.19s +56: timer: KE matrix 0.20s 0.20s 56: timer: Make fock matrix res 0.00s 0.00s 56: 56: kinetic 9.00698174 @@ -13482,34 +13518,34 @@ 56: nuclear-repulsion 2.08695652 56: total -7.63739591 56: -56: timer: Compute residual stu 0.03s 0.03s -56: timer: Apply BSH 0.32s 0.32s -56: timer: Truncate new psi 0.08s 0.08s +56: timer: Compute residual stu 0.02s 0.02s +56: timer: Apply BSH 0.29s 0.29s +56: timer: Truncate new psi 0.11s 0.11s 56: residuals [1.876331e-02, 1.575521e-01] 56: BSH residual: rms 1.121934e-01 max 1.575521e-01 -56: timer: BSH residual 0.06s 0.06s -56: timer: Update subspace stuf 0.06s 0.06s -56: timer: Subspace transform 0.00s 0.00s +56: timer: BSH residual 0.03s 0.03s +56: timer: Update subspace stuf 0.05s 0.05s +56: timer: Subspace transform 0.02s 0.02s 56: Norm of vector changes alpha : rms 1.121934e-01 max 1.575521e-01 56: timer: Orthonormalize 0.14s 0.14s 56: -56: Iteration 1 at time 29.7s +56: Iteration 1 at time 24.5s 56: -56: timer: Pipek-Mezy new 0.02s 0.02s -56: timer: Make densities 0.08s 0.08s +56: timer: Pipek-Mezy new 0.03s 0.03s +56: timer: Make densities 0.06s 0.06s 56: timer: Load balancing 0.00s 0.00s 56: delta rho 4.288859e-02 4.288859e-02 residuals 1.575521e-01 0.000000e+00 -56: timer: Nuclear energy 0.03s 0.03s -56: timer: Coulomb 0.49s 0.49s -56: timer: V*psi 0.10s 0.10s -56: timer: HF exchange 1.28s 1.28s -56: timer: Truncate Vpsi 0.06s 0.06s -56: timer: PE matrix 0.04s 0.04s +56: timer: Nuclear energy 0.02s 0.02s +56: timer: Coulomb 0.36s 0.36s +56: timer: V*psi 0.08s 0.08s +56: timer: HF exchange 1.05s 1.05s +56: timer: Truncate Vpsi 0.03s 0.03s +56: timer: PE matrix 0.03s 0.03s 56: timer: KEmat reconstruct 0.03s 0.03s -56: timer: KEmat differentiate 0.12s 0.12s -56: timer: KEmat compress 0.06s 0.06s -56: timer: KEmat inner products 0.12s 0.12s -56: timer: KE matrix 0.33s 0.33s +56: timer: KEmat differentiate 0.08s 0.08s +56: timer: KEmat compress 0.04s 0.04s +56: timer: KEmat inner products 0.10s 0.10s +56: timer: KE matrix 0.24s 0.24s 56: timer: Make fock matrix res 0.00s 0.00s 56: 56: kinetic 8.68200342 @@ -13521,7 +13557,7 @@ 56: nuclear-repulsion 2.08695652 56: total -7.68823635 56: -56: timer: Overlap 0.05s 0.05s +56: timer: Overlap 0.06s 0.06s 56: timer: focka eigen sol 0.00s 0.00s 56: 56: alpha eigenvalues @@ -13531,16 +13567,16 @@ 56: Dipole Moment (a.u.) 56: ----------- 56: -56: x: 7.689341e-12 +56: x: 7.679437e-12 56: y: 7.694327e-12 56: z: -1.947957e+00 56: Total Dipole Moment: 1.947957e+00 56: -56: timer: dipole 0.04s 0.04s +56: timer: dipole 0.02s 0.02s 56: Orbitals are localized - energies are diagonal Fock matrix elements 56: 56: Analysis of alpha MO vectors -56: timer: Analyze vectors 1.02s 1.02s +56: timer: Analyze vectors 0.97s 0.97s 56: timer: Compute eigen gesv a 0.00s 0.00s 56: MO 0 : occ=1.00 : energy= -2.44194449 : ncoeff=8.47e+04:center=(-0.00,-0.00,-0.37) : radius=0.70 56: Li(0) s( 0)-1.017 @@ -13552,7 +13588,7 @@ 56: 56: reading from aobasis STO-3G 56: result 0 -56/56 Test #56: chem-test_MolecularOrbitals .............***Timeout 1500.16 sec +56/56 Test #56: chem-test_MolecularOrbitals .............***Timeout 1500.17 sec MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 Construct XC Functional from LIBXC Library @@ -13568,40 +13604,40 @@ Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 -timer: Project vnuclear 0.35s 0.35s -timer: guess density 0.12s 0.12s -timer: guess Coulomb potn 1.59s 1.59s -timer: guess lda potn 0.36s 0.36s -timer: guess overlap 0.03s 0.03s -timer: KEmat reconstruct 0.05s 0.05s -timer: KEmat differentiate 0.45s 0.45s -timer: KEmat compress 0.12s 0.12s -timer: KEmat inner products 0.19s 0.19s -timer: guess Kinet potn 0.84s 0.84s -timer: guess fock 0.42s 0.42s +timer: Project vnuclear 0.26s 0.26s +timer: guess density 0.11s 0.11s +timer: guess Coulomb potn 1.37s 1.37s +timer: guess lda potn 0.24s 0.24s +timer: guess overlap 0.02s 0.02s +timer: KEmat reconstruct 0.04s 0.04s +timer: KEmat differentiate 0.35s 0.35s +timer: KEmat compress 0.07s 0.07s +timer: KEmat inner products 0.16s 0.16s +timer: guess Kinet potn 0.63s 0.63s +timer: guess fock 0.30s 0.30s timer: guess eigen sol 0.00s 0.00s -timer: guess orbital groupi 0.10s 0.10s +timer: guess orbital groupi 0.05s 0.05s Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 -timer: Project vnuclear 0.42s 0.42s +timer: Project vnuclear 0.34s 0.34s -Iteration 0 at time 8.4s +Iteration 0 at time 8.0s -timer: Pipek-Mezy new 0.01s 0.01s -timer: Make densities 0.07s 0.07s +timer: Pipek-Mezy new 0.06s 0.06s +timer: Make densities 0.08s 0.08s timer: Load balancing 0.00s 0.00s -timer: Nuclear energy 0.05s 0.05s -timer: Coulomb 1.18s 1.18s -timer: V*psi 0.07s 0.07s -timer: HF exchange 1.80s 1.80s -timer: Truncate Vpsi 0.03s 0.03s -timer: PE matrix 0.04s 0.04s -timer: KEmat reconstruct 0.02s 0.02s -timer: KEmat differentiate 0.13s 0.13s -timer: KEmat compress 0.03s 0.03s -timer: KEmat inner products 0.07s 0.07s -timer: KE matrix 0.25s 0.25s +timer: Nuclear energy 0.03s 0.03s +timer: Coulomb 0.81s 0.81s +timer: V*psi 0.08s 0.08s +timer: HF exchange 1.63s 1.63s +timer: Truncate Vpsi 0.01s 0.01s +timer: PE matrix 0.03s 0.03s +timer: KEmat reconstruct 0.03s 0.03s +timer: KEmat differentiate 0.08s 0.08s +timer: KEmat compress 0.02s 0.02s +timer: KEmat inner products 0.10s 0.10s +timer: KE matrix 0.24s 0.24s timer: Make fock matrix res 0.00s 0.00s kinetic 9.00436527 @@ -13613,34 +13649,34 @@ nuclear-repulsion 2.08695652 total -7.64479540 -timer: Compute residual stu 0.04s 0.04s -timer: Apply BSH 0.54s 0.54s -timer: Truncate new psi 0.18s 0.18s +timer: Compute residual stu 0.03s 0.03s +timer: Apply BSH 0.46s 0.46s +timer: Truncate new psi 0.07s 0.07s residuals [1.852805e-02, 1.557243e-01] BSH residual: rms 1.108903e-01 max 1.557243e-01 -timer: BSH residual 0.03s 0.03s -timer: Update subspace stuf 0.07s 0.07s +timer: BSH residual 0.04s 0.04s +timer: Update subspace stuf 0.04s 0.04s timer: Subspace transform 0.00s 0.00s Norm of vector changes alpha : rms 1.108903e-01 max 1.557243e-01 -timer: Orthonormalize 0.21s 0.21s +timer: Orthonormalize 0.16s 0.16s -Iteration 1 at time 13.5s +Iteration 1 at time 12.1s -timer: Pipek-Mezy new 0.03s 0.03s -timer: Make densities 0.05s 0.05s +timer: Pipek-Mezy new 0.05s 0.05s +timer: Make densities 0.06s 0.06s timer: Load balancing 0.00s 0.00s delta rho 4.250193e-02 4.250193e-02 residuals 1.557243e-01 0.000000e+00 -timer: Nuclear energy 0.03s 0.03s -timer: Coulomb 0.86s 0.86s +timer: Nuclear energy 0.02s 0.02s +timer: Coulomb 0.79s 0.79s timer: V*psi 0.08s 0.08s -timer: HF exchange 3.42s 3.42s -timer: Truncate Vpsi 0.06s 0.06s -timer: PE matrix 0.06s 0.06s -timer: KEmat reconstruct 0.04s 0.04s -timer: KEmat differentiate 0.13s 0.13s +timer: HF exchange 1.63s 1.63s +timer: Truncate Vpsi 0.04s 0.04s +timer: PE matrix 0.05s 0.05s +timer: KEmat reconstruct 0.02s 0.02s +timer: KEmat differentiate 0.09s 0.09s timer: KEmat compress 0.04s 0.04s -timer: KEmat inner products 0.17s 0.17s -timer: KE matrix 0.38s 0.38s +timer: KEmat inner products 0.15s 0.15s +timer: KE matrix 0.32s 0.32s timer: Make fock matrix res 0.00s 0.00s kinetic 8.68594569 @@ -13652,7 +13688,7 @@ nuclear-repulsion 2.08695652 total -7.69515189 -timer: Overlap 0.06s 0.06s +timer: Overlap 0.05s 0.05s timer: focka eigen sol 0.00s 0.00s alpha eigenvalues @@ -13662,16 +13698,16 @@ Dipole Moment (a.u.) ----------- - x: 6.964092e-12 - y: 6.949667e-12 + x: 6.954292e-12 + y: 6.944999e-12 z: -1.945799e+00 Total Dipole Moment: 1.945799e+00 -timer: dipole 0.03s 0.03s +timer: dipole 0.02s 0.02s Orbitals are localized - energies are diagonal Fock matrix elements Analysis of alpha MO vectors -timer: Analyze vectors 1.08s 1.08s +timer: Analyze vectors 0.77s 0.77s timer: Compute eigen gesv a 0.00s 0.00s MO 0 : occ=1.00 : energy= -2.44294955 : ncoeff=1.19e+05:center=(-0.00,-0.00,-0.37) : radius=0.70 Li(0) s( 0)-1.017 @@ -13696,40 +13732,40 @@ Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 -timer: Project vnuclear 0.30s 0.30s -timer: guess density 0.12s 0.12s -timer: guess Coulomb potn 1.10s 1.10s -timer: guess lda potn 0.17s 0.17s -timer: guess overlap 0.02s 0.02s -timer: KEmat reconstruct 0.05s 0.05s -timer: KEmat differentiate 0.20s 0.20s +timer: Project vnuclear 0.25s 0.25s +timer: guess density 0.10s 0.10s +timer: guess Coulomb potn 1.18s 1.18s +timer: guess lda potn 0.22s 0.22s +timer: guess overlap 0.05s 0.05s +timer: KEmat reconstruct 0.06s 0.06s +timer: KEmat differentiate 0.28s 0.28s timer: KEmat compress 0.06s 0.06s -timer: KEmat inner products 0.08s 0.08s -timer: guess Kinet potn 0.39s 0.39s -timer: guess fock 0.37s 0.37s +timer: KEmat inner products 0.11s 0.11s +timer: guess Kinet potn 0.52s 0.52s +timer: guess fock 0.50s 0.50s timer: guess eigen sol 0.00s 0.00s -timer: guess orbital groupi 0.07s 0.07s +timer: guess orbital groupi 0.05s 0.05s Solving NDIM= 3 with thresh 1.000000e-03 k 6 conv 1.000000e-03 -timer: Project vnuclear 0.37s 0.37s +timer: Project vnuclear 0.24s 0.24s -Iteration 0 at time 26.9s +Iteration 0 at time 21.7s -timer: Pipek-Mezy new 0.03s 0.03s -timer: Make densities 0.04s 0.04s +timer: Pipek-Mezy new 0.05s 0.05s +timer: Make densities 0.07s 0.07s timer: Load balancing 0.00s 0.00s -timer: Nuclear energy 0.02s 0.02s -timer: Coulomb 0.48s 0.48s -timer: V*psi 0.10s 0.10s -timer: HF exchange 1.05s 1.05s -timer: Truncate Vpsi 0.01s 0.01s -timer: PE matrix 0.02s 0.02s +timer: Nuclear energy 0.04s 0.04s +timer: Coulomb 0.34s 0.34s +timer: V*psi 0.08s 0.08s +timer: HF exchange 1.01s 1.01s +timer: Truncate Vpsi 0.02s 0.02s +timer: PE matrix 0.03s 0.03s timer: KEmat reconstruct 0.02s 0.02s timer: KEmat differentiate 0.07s 0.07s timer: KEmat compress 0.03s 0.03s timer: KEmat inner products 0.07s 0.07s -timer: KE matrix 0.19s 0.19s +timer: KE matrix 0.20s 0.20s timer: Make fock matrix res 0.00s 0.00s kinetic 9.00698174 @@ -13741,34 +13777,34 @@ nuclear-repulsion 2.08695652 total -7.63739591 -timer: Compute residual stu 0.03s 0.03s -timer: Apply BSH 0.32s 0.32s -timer: Truncate new psi 0.08s 0.08s +timer: Compute residual stu 0.02s 0.02s +timer: Apply BSH 0.29s 0.29s +timer: Truncate new psi 0.11s 0.11s residuals [1.876331e-02, 1.575521e-01] BSH residual: rms 1.121934e-01 max 1.575521e-01 -timer: BSH residual 0.06s 0.06s -timer: Update subspace stuf 0.06s 0.06s -timer: Subspace transform 0.00s 0.00s +timer: BSH residual 0.03s 0.03s +timer: Update subspace stuf 0.05s 0.05s +timer: Subspace transform 0.02s 0.02s Norm of vector changes alpha : rms 1.121934e-01 max 1.575521e-01 timer: Orthonormalize 0.14s 0.14s -Iteration 1 at time 29.7s +Iteration 1 at time 24.5s -timer: Pipek-Mezy new 0.02s 0.02s -timer: Make densities 0.08s 0.08s +timer: Pipek-Mezy new 0.03s 0.03s +timer: Make densities 0.06s 0.06s timer: Load balancing 0.00s 0.00s delta rho 4.288859e-02 4.288859e-02 residuals 1.575521e-01 0.000000e+00 -timer: Nuclear energy 0.03s 0.03s -timer: Coulomb 0.49s 0.49s -timer: V*psi 0.10s 0.10s -timer: HF exchange 1.28s 1.28s -timer: Truncate Vpsi 0.06s 0.06s -timer: PE matrix 0.04s 0.04s +timer: Nuclear energy 0.02s 0.02s +timer: Coulomb 0.36s 0.36s +timer: V*psi 0.08s 0.08s +timer: HF exchange 1.05s 1.05s +timer: Truncate Vpsi 0.03s 0.03s +timer: PE matrix 0.03s 0.03s timer: KEmat reconstruct 0.03s 0.03s -timer: KEmat differentiate 0.12s 0.12s -timer: KEmat compress 0.06s 0.06s -timer: KEmat inner products 0.12s 0.12s -timer: KE matrix 0.33s 0.33s +timer: KEmat differentiate 0.08s 0.08s +timer: KEmat compress 0.04s 0.04s +timer: KEmat inner products 0.10s 0.10s +timer: KE matrix 0.24s 0.24s timer: Make fock matrix res 0.00s 0.00s kinetic 8.68200342 @@ -13780,7 +13816,7 @@ nuclear-repulsion 2.08695652 total -7.68823635 -timer: Overlap 0.05s 0.05s +timer: Overlap 0.06s 0.06s timer: focka eigen sol 0.00s 0.00s alpha eigenvalues @@ -13790,16 +13826,16 @@ Dipole Moment (a.u.) ----------- - x: 7.689341e-12 + x: 7.679437e-12 y: 7.694327e-12 z: -1.947957e+00 Total Dipole Moment: 1.947957e+00 -timer: dipole 0.04s 0.04s +timer: dipole 0.02s 0.02s Orbitals are localized - energies are diagonal Fock matrix elements Analysis of alpha MO vectors -timer: Analyze vectors 1.02s 1.02s +timer: Analyze vectors 0.97s 0.97s timer: Compute eigen gesv a 0.00s 0.00s MO 0 : occ=1.00 : energy= -2.44194449 : ncoeff=8.47e+04:center=(-0.00,-0.00,-0.37) : radius=0.70 Li(0) s( 0)-1.017 @@ -13815,7 +13851,7 @@ 34% tests passed, 37 tests failed out of 56 -Total Test time (real) = 57199.07 sec +Total Test time (real) = 57019.62 sec The following tests FAILED: 2 - world-test_prof (Timeout) @@ -14575,12 +14611,14 @@ 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/1669770/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/1669770/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/3974133 and its subdirectories -I: Current time: Tue Oct 6 21:44:00 -12 2026 -I: pbuilder-time-stamp: 1791366240 +I: removing directory /srv/workspace/pbuilder/1669770 and its subdirectories +I: Current time: Thu Sep 4 01:20:57 +14 2025 +I: pbuilder-time-stamp: 1756898457