Diff of the two buildlogs: -- --- b1/build.log 2024-04-30 09:06:10.802814570 +0000 +++ b2/build.log 2024-04-30 23:13:17.602276554 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Mon Apr 29 20:00:57 -12 2024 -I: pbuilder-time-stamp: 1714464057 +I: Current time: Tue Jun 3 05:29:14 +14 2025 +I: pbuilder-time-stamp: 1748878154 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -32,52 +32,84 @@ 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/720084/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/784257/tmp/hooks/D01_modify_environment starting +debug: Running on ionos5-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 Jun 2 15:29 /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/784257/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/784257/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='d76e74abb5c943479e13928f5fe1670f' - 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='720084' - PS1='# ' - PS2='> ' + INVOCATION_ID=561577adf9d94322a2cf2ea1d2f4fca2 + 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=784257 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.D4XdBJCM/pbuilderrc_w2Ii --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.D4XdBJCM/b1 --logfile b1/build.log madness_0.10.1+git20200818.eee5fd9f-3.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.D4XdBJCM/pbuilderrc_NskO --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.D4XdBJCM/b2 --logfile b2/build.log madness_0.10.1+git20200818.eee5fd9f-3.dsc' + SUDO_GID=110 + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos11-amd64 6.1.0-20-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.85-1 (2024-04-11) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.6.13+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.6.13-1~bpo12+1 (2024-02-15) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Apr 22 12:43 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/720084/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 25 19:07 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/784257/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -293,7 +325,7 @@ Get: 109 http://deb.debian.org/debian trixie/main amd64 pkgconf-bin amd64 1.8.1-1+b2 [29.7 kB] Get: 110 http://deb.debian.org/debian trixie/main amd64 pkgconf amd64 1.8.1-1+b2 [26.2 kB] Get: 111 http://deb.debian.org/debian trixie/main amd64 pkg-config amd64 1.8.1-1+b2 [14.0 kB] -Fetched 152 MB in 2s (79.9 MB/s) +Fetched 152 MB in 2s (67.6 MB/s) debconf: delaying package configuration, since apt-utils is not installed dpkg: libdb5.3:amd64: dependency problems, but removing anyway as you requested: libperl5.38:amd64 depends on libdb5.3. @@ -676,8 +708,8 @@ Setting up tzdata (2024a-3) ... Current default time zone: 'Etc/UTC' -Local time is now: Tue Apr 30 08:02:21 UTC 2024. -Universal Time is now: Tue Apr 30 08:02:21 UTC 2024. +Local time is now: Mon Jun 2 15:30:12 UTC 2025. +Universal Time is now: Mon Jun 2 15:30:12 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -787,7 +819,11 @@ 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/784257/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/784257/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 @@ -1110,8 +1146,8 @@ * PCM * CUDA --- Configuring done (8.3s) --- Generating done (0.7s) +-- Configuring done (5.0s) +-- Generating done (0.4s) CMake Warning: Manually-specified variables were not used by the project: @@ -1127,7 +1163,7 @@ -- 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 -j20 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/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 @@ -1137,24 +1173,24 @@ 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 -f src/madness/misc/CMakeFiles/MADmisc-obj.dir/build.make src/madness/misc/CMakeFiles/MADmisc-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[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 -f src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/build.make src/madness/tensor/CMakeFiles/MADlinalg-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/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 -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' 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-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/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 -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 -f src/apps/chem/CMakeFiles/MADchem-obj.dir/build.make src/apps/chem/CMakeFiles/MADchem-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/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[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=" make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' @@ -1165,74 +1201,118 @@ 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[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[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[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[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/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[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/world/CMakeFiles/MADworld-obj.dir/build.make src/madness/world/CMakeFiles/MADworld-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[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' make -f src/madness/external/gtest/CMakeFiles/MADgtest.dir/build.make src/madness/external/gtest/CMakeFiles/MADgtest.dir/build 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[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[3]: Entering 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 -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/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/build.make src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/build make[3]: Entering directory 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Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 3%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxml.cc.o +[ 3%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlerror.cc.o +[ 3%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinystr.cc.o +[ 3%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o +[ 6%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/madness_exception.cc.o +[ 3%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra2.cc.o [ 6%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserCallback.cpp.o -[ 6%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensoriter.cc.o -[ 6%] 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/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/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/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 -[ 6%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBytecode.cpp.o -[ 12%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/lapack.cc.o -[ 15%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra4.cc.o -[ 15%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/solvers.cc.o -[ 15%] Building CXX object src/madness/external/gtest/CMakeFiles/MADgtest.dir/gtest-all.cc.o -[ 15%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra3.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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 -[ 21%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/checksum_file.cc.o +[ 6%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra3.cc.o +[ 6%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/position_stream.cc.o +[ 6%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserError.cpp.o +[ 6%] 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/muParser.cpp.o +[ 9%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.cc.o +[ 12%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra4.cc.o +[ 15%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/lapack.cc.o +[ 15%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/world.cc.o [ 15%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensor.cc.o -[ 21%] generating the gitversion file -[ 21%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinystr.cc.o -[ 21%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra2.cc.o -[ 21%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/basetensor.cc.o -[ 21%] 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/madness/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 18%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/solvers.cc.o +[ 18%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/tensoriter.cc.o +[ 18%] Building CXX object src/madness/mra/CMakeFiles/MADmra-obj.dir/mra5.cc.o +[ 18%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserTokenReader.cpp.o +[ 21%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/gprofexit.cc.o +[ 21%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/ran.cc.o +[ 21%] Building CXX object src/madness/tensor/CMakeFiles/MADlinalg-obj.dir/elem.cc.o +[ 25%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/timers.cc.o +[ 25%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/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/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 +[ 25%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/future.cc.o +[ 25%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/vmath.cc.o +[ 28%] Building CXX object src/madness/external/gtest/CMakeFiles/MADgtest.dir/gtest-all.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +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/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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.cc.o -MF CMakeFiles/MADworld-obj.dir/world.cc.o.d -o CMakeFiles/MADworld-obj.dir/world.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/world.cc +[ 31%] generating the gitversion file 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 -[ 21%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/madness_exception.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 31%] Building CXX object src/madness/tensor/CMakeFiles/MADtensor-obj.dir/basetensor.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 31%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/cfft.cc.o +[ 31%] 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/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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 34%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/redirectio.cc.o +[ 34%] 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/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 37%] 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/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/muParserError.cpp.o -MF 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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 -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/world && /usr/bin/c++ 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-I/usr/include/x86_64-linux-gnu/mpich -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/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/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/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/elem.cc.o -MF CMakeFiles/MADlinalg-obj.dir/elem.cc.o.d -o CMakeFiles/MADlinalg-obj.dir/elem.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/elem.cc +[ 37%] 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/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/gprofexit.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 40%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/mra && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 21%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBase.cpp.o +[ 40%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserBase.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 25%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/correlationfactor.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 40%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/molecule.cc.o +[ 43%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/correlationfactor.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 +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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 43%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 CMake Deprecation Warning at /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/cmake/git_version.cmake:1 (cmake_minimum_required): Compatibility with CMake < 3.5 will be removed from a future version of CMake. @@ -1246,297 +1326,262 @@ -- 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 +[ 43%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 25%] Built target mgit-madness +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 43%] 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/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/info.cc.o -MF CMakeFiles/MADworld-obj.dir/info.cc.o.d -o CMakeFiles/MADworld-obj.dir/info.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/info.cc +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +/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/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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 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=" 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-obj.dir/build.make src/madness/misc/CMakeFiles/MADgit-obj.dir/build make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 25%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxml.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/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 -[ 25%] Building CXX object src/madness/misc/CMakeFiles/MADgit-obj.dir/gitinfo.cc.o +[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 25%] 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/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 /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__; | ^~~~~~~~ -[ 25%] Building CXX object src/madness/external/muParser/CMakeFiles/MADmuparser-obj.dir/muParserError.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/muParserError.cpp.o -MF CMakeFiles/MADmuparser-obj.dir/muParserError.cpp.o.d -o CMakeFiles/MADmuparser-obj.dir/muParserError.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/external/muParser/muParserError.cpp -[ 25%] 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/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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.cc.o -MF CMakeFiles/MADworld-obj.dir/world.cc.o.d -o CMakeFiles/MADworld-obj.dir/world.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/world.cc +[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 56%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 25%] Built target MADgit-obj -[ 25%] 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/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 25%] 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/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 -[ 28%] 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/misc && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/gprofexit.cc -[ 28%] 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/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 -[ 28%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/ran.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 31%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/timers.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/timers.cc.o -MF CMakeFiles/MADworld-obj.dir/timers.cc.o.d -o CMakeFiles/MADworld-obj.dir/timers.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/timers.cc -[ 31%] 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/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/future.cc.o -MF CMakeFiles/MADworld-obj.dir/future.cc.o.d -o CMakeFiles/MADworld-obj.dir/future.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/future.cc -[ 31%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/molecule.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 59%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 59%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 59%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 62%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/worldprofile.cc.o +[ 62%] Built target MADtensor-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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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' -[ 31%] Built target MADtensor-obj -[ 34%] Building CXX object src/madness/external/tinyxml/CMakeFiles/MADtinyxml-obj.dir/tinyxmlparser.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 -[ 34%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 37%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 37%] 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/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/redirectio.cc.o -MF CMakeFiles/MADworld-obj.dir/redirectio.cc.o.d -o CMakeFiles/MADworld-obj.dir/redirectio.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/redirectio.cc -[ 40%] 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/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 40%] Building CXX object src/madness/misc/CMakeFiles/MADmisc-obj.dir/cfft.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 40%] 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/world && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/info.cc.o -MF CMakeFiles/MADworld-obj.dir/info.cc.o.d -o CMakeFiles/MADworld-obj.dir/info.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/info.cc -[ 40%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 40%] 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/tensor && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/elem.cc.o -MF CMakeFiles/MADlinalg-obj.dir/elem.cc.o.d -o CMakeFiles/MADlinalg-obj.dir/elem.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/elem.cc +[ 62%] Built target MADmisc-obj +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 62%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 62%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 65%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 65%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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%] Built target MADtinyxml-obj +[ 65%] Built target MADgit-obj +[ 65%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 68%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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' +[ 68%] Built target MADtinyxml-obj +[ 68%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 68%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 71%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 71%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 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=" 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/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' -[ 43%] Built target MADmisc-obj -[ 43%] Linking CXX static library libMADtinyxml.a +[ 75%] 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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 /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 make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 46%] Built target MADtinyxml -[ 50%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -/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/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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 50%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 50%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 53%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 75%] Built target MADtinyxml +[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 75%] Building CXX object src/madness/world/CMakeFiles/MADworld-obj.dir/group.cc.o +[ 75%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/pointgroupsymmetry.cc.o +[ 78%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/znemo.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +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/include/x86_64-linux-gnu/mpich/mpi.h\" 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/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem && /usr/bin/c++ -DMADNESS_MPI_HEADER=\"/usr/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/znemo.cc.o -MF CMakeFiles/MADchem-obj.dir/znemo.cc.o.d -o CMakeFiles/MADchem-obj.dir/znemo.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/znemo.cc +[ 78%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/zcis.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/zcis.cc.o -MF CMakeFiles/MADchem-obj.dir/zcis.cc.o.d -o CMakeFiles/MADchem-obj.dir/zcis.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/zcis.cc +[ 81%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 81%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/diamagneticpotentialfactor.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/diamagneticpotentialfactor.cc.o -MF CMakeFiles/MADchem-obj.dir/diamagneticpotentialfactor.cc.o.d -o CMakeFiles/MADchem-obj.dir/diamagneticpotentialfactor.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/diamagneticpotentialfactor.cc +[ 84%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/oep.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/oep.cc.o -MF CMakeFiles/MADchem-obj.dir/oep.cc.o.d -o CMakeFiles/MADchem-obj.dir/oep.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/oep.cc +[ 84%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNO.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNO.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNO.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNO.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNO.cpp +[ 84%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 84%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNOF12Potentials.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNOF12Potentials.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNOF12Potentials.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNOF12Potentials.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNOF12Potentials.cpp +[ 84%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNOGuessFunctions.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/include/x86_64-linux-gnu/mpich -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/PNOParameters.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNOParameters.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNOParameters.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNOParameters.cpp +[ 87%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNOStructures.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNOStructures.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNOStructures.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNOStructures.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNOStructures.cpp +[ 87%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/QCCalculationParametersBase.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/QCCalculationParametersBase.cc.o -MF CMakeFiles/MADchem-obj.dir/QCCalculationParametersBase.cc.o.d -o CMakeFiles/MADchem-obj.dir/QCCalculationParametersBase.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/QCCalculationParametersBase.cc +[ 90%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/MolecularOrbitals.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/MolecularOrbitals.cc.o -MF CMakeFiles/MADchem-obj.dir/MolecularOrbitals.cc.o.d -o CMakeFiles/MADchem-obj.dir/MolecularOrbitals.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.cc +[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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' -[ 56%] Built target MADmuparser-obj +[ 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' 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.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/external/muParser/CMakeFiles/MADmuparser.dir/build.make src/madness/external/muParser/CMakeFiles/MADmuparser.dir/build make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 59%] Linking CXX static library libMADmuparser.a +[ 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 /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 -[ 59%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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' -[ 59%] Built target MADmuparser -[ 59%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 59%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 59%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/SCF.cc.o -[ 62%] 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/include/x86_64-linux-gnu/mpich/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/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/src/apps -I/usr/include/x86_64-linux-gnu/mpich -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 -[ 62%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 68%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 68%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 68%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 68%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 71%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 71%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 75%] Linking CXX static library libMADgtest.a -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest && /usr/bin/cmake -P CMakeFiles/MADgtest.dir/cmake_clean_target.cmake -cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADgtest.dir/link.txt --verbose=1 -/usr/bin/ar qc libMADgtest.a "CMakeFiles/MADgtest.dir/gtest-all.cc.o" -[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -/usr/bin/ranlib libMADgtest.a make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 75%] Built target MADgtest -[ 75%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 78%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -[ 78%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 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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/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 -[ 78%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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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CMakeFiles/MADchem-obj.dir/CCStructures.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CCStructures.cc -[ 81%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 93%] Built target MADmuparser make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 81%] Built target MADworld-obj +[ 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' -[ 81%] Linking CXX static library libMADworld.a +[ 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' -[ 81%] Built target MADworld +[ 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=" -[ 81%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -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 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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[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' -[ 81%] Linking CXX static library libMADgit.a +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 +[ 93%] Linking CXX static library libMADmisc.a +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 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Built target MADgit +[ 93%] Built target MADmisc 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' 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' 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'/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 84%] Built target MADtensor -[ 84%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 +[ 96%] Built target MADtensor +[ 96%] Linking CXX static library libMADgtest.a +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest && /usr/bin/cmake -P CMakeFiles/MADgtest.dir/cmake_clean_target.cmake +cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/external/gtest && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADgtest.dir/link.txt --verbose=1 +/usr/bin/ar qc libMADgtest.a "CMakeFiles/MADgtest.dir/gtest-all.cc.o" +/usr/bin/ranlib libMADgtest.a +make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' +[ 96%] Built target MADgtest make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 84%] Built target MADlinalg-obj +[ 96%] Built target MADlinalg-obj make -f src/madness/tensor/CMakeFiles/MADlinalg.dir/build.make src/madness/tensor/CMakeFiles/MADlinalg.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/MADlinalg.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.dir/build.make src/madness/tensor/CMakeFiles/MADlinalg.dir/build make[3]: Entering directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 84%] Linking CXX static library libMADlinalg.a +[ 96%] Linking CXX static library libMADlinalg.a cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/cmake -P CMakeFiles/MADlinalg.dir/cmake_clean_target.cmake -[ 84%] 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/include/x86_64-linux-gnu/mpich/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 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-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 cd /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor && /usr/bin/cmake -E cmake_link_script CMakeFiles/MADlinalg.dir/link.txt --verbose=1 /usr/bin/ar qc libMADlinalg.a "CMakeFiles/MADlinalg-obj.dir/lapack.cc.o" "CMakeFiles/MADlinalg-obj.dir/solvers.cc.o" "CMakeFiles/MADlinalg-obj.dir/elem.cc.o" "CMakeFiles/MADlinalg-obj.dir/linalg_wrappers.cc.o" /usr/bin/ranlib libMADlinalg.a make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' -[ 84%] Built target MADlinalg -[ 87%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/znemo.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/znemo.cc.o -MF CMakeFiles/MADchem-obj.dir/znemo.cc.o.d -o CMakeFiles/MADchem-obj.dir/znemo.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/znemo.cc -[ 87%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/zcis.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/zcis.cc.o -MF CMakeFiles/MADchem-obj.dir/zcis.cc.o.d -o CMakeFiles/MADchem-obj.dir/zcis.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/zcis.cc -[ 87%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/diamagneticpotentialfactor.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/diamagneticpotentialfactor.cc.o -MF CMakeFiles/MADchem-obj.dir/diamagneticpotentialfactor.cc.o.d -o CMakeFiles/MADchem-obj.dir/diamagneticpotentialfactor.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/diamagneticpotentialfactor.cc -[ 90%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/oep.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/oep.cc.o -MF CMakeFiles/MADchem-obj.dir/oep.cc.o.d -o CMakeFiles/MADchem-obj.dir/oep.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/oep.cc -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/nemo.cc:44: +[ 96%] Built target MADlinalg +In file included from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.h:13, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.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()); | ^ In file included from /usr/include/stdio.h:906, from /usr/include/c++/13/cstdio:42, - from /usr/include/c++/13/ext/string_conversions.h:45, - from /usr/include/c++/13/bits/basic_string.h:4109, - from /usr/include/c++/13/string:54, - from /usr/include/c++/13/bits/locale_classes.h:40, - from /usr/include/c++/13/bits/ios_base.h:41, - from /usr/include/c++/13/ios:44, - from /usr/include/c++/13/ostream:40, - from /usr/include/c++/13/iostream:41, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/world.h:58, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/MADworld.h:42: + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldmutex.h:38, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/dqueue.h:46, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/thread.h:41, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/ran.h:36, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/tensor.h:36, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.h:12: In function 'int sprintf(char*, const char*, ...)', inlined from 'void madness::archive::BaseParallelArchive::open(madness::World&, const char*, int) [with Archive = madness::archive::BinaryFstreamOutputArchive]' at /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h:158:24: /usr/include/x86_64-linux-gnu/bits/stdio2.h:30:34: note: '__builtin___sprintf_chk' output between 8 and 269 bytes into a destination of size 256 @@ -1546,25 +1591,12 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -/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::BinaryFstreamInputArchive]': -/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()); - | ^ -In function 'int sprintf(char*, const char*, ...)', - inlined from 'void madness::archive::BaseParallelArchive::open(madness::World&, const char*, int) [with Archive = madness::archive::BinaryFstreamInputArchive]' at /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h:158:24: -/usr/include/x86_64-linux-gnu/bits/stdio2.h:30:34: note: '__builtin___sprintf_chk' output between 8 and 269 bytes into a destination of size 256 - 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, - | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 31 | __glibc_objsize (__s), __fmt, - | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - 32 | __va_arg_pack ()); - | ~~~~~~~~~~~~~~~~~ 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/CCStructures.h:13, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/TDHF.h:11, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/TDHF.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()); @@ -1606,8 +1638,9 @@ 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/SCF.h:47, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/SCF.cc:40: + 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()); @@ -1649,9 +1682,8 @@ 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/projector.h:11, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CC2.h:11, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CC2.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/nemo.cc:44: /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()); @@ -1690,12 +1722,25 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ +/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::BinaryFstreamInputArchive]': +/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()); + | ^ +In function 'int sprintf(char*, const char*, ...)', + inlined from 'void madness::archive::BaseParallelArchive::open(madness::World&, const char*, int) [with Archive = madness::archive::BinaryFstreamInputArchive]' at /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h:158:24: +/usr/include/x86_64-linux-gnu/bits/stdio2.h:30:34: note: '__builtin___sprintf_chk' output between 8 and 269 bytes into a destination of size 256 + 30 | return __builtin___sprintf_chk (__s, __USE_FORTIFY_LEVEL - 1, + | ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 31 | __glibc_objsize (__s), __fmt, + | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + 32 | __va_arg_pack ()); + | ~~~~~~~~~~~~~~~~~ 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/CCStructures.h:13, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/TDHF.h:11, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/TDHF.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()); @@ -1734,13 +1779,11 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -[ 90%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNO.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNO.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNO.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNO.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNO.cpp 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/mp2.h:43, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/mp2.cc:45: + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/SCF.h:47, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/SCF.cc:40: /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()); @@ -1782,7 +1825,9 @@ 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/znemo.cc:8: + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/projector.h:11, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CC2.h:11, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/CC2.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()); @@ -1824,9 +1869,8 @@ 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/apps/chem/mp2.h:43, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/mp2.cc:45: /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()); @@ -1865,8 +1909,6 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -[ 90%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNOF12Potentials.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNOF12Potentials.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNOF12Potentials.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNOF12Potentials.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNOF12Potentials.cpp 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, @@ -1903,32 +1945,26 @@ | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 32 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ -[ 90%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNOGuessFunctions.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNOGuessFunctions.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNOGuessFunctions.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNOGuessFunctions.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNOGuessFunctions.cpp -[ 93%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNOParameters.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNOParameters.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNOParameters.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNOParameters.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNOParameters.cpp -[ 93%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/PNOStructures.cpp.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/PNOStructures.cpp.o -MF CMakeFiles/MADchem-obj.dir/PNOStructures.cpp.o.d -o CMakeFiles/MADchem-obj.dir/PNOStructures.cpp.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/PNOStructures.cpp -[ 93%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/QCCalculationParametersBase.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/QCCalculationParametersBase.cc.o -MF CMakeFiles/MADchem-obj.dir/QCCalculationParametersBase.cc.o.d -o CMakeFiles/MADchem-obj.dir/QCCalculationParametersBase.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/QCCalculationParametersBase.cc -[ 96%] Building CXX object src/apps/chem/CMakeFiles/MADchem-obj.dir/MolecularOrbitals.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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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/MolecularOrbitals.cc.o -MF CMakeFiles/MADchem-obj.dir/MolecularOrbitals.cc.o.d -o CMakeFiles/MADchem-obj.dir/MolecularOrbitals.cc.o -c /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.cc -[ 96%] 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/include/x86_64-linux-gnu/mpich/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/include/x86_64-linux-gnu/mpich -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 -In file included from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.h:13, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.cc:8: +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/znemo.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()); | ^ In file included from /usr/include/stdio.h:906, from /usr/include/c++/13/cstdio:42, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/worldmutex.h:38, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/dqueue.h:46, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/thread.h:41, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/misc/ran.h:36, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/tensor/tensor.h:36, - from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/apps/chem/MolecularOrbitals.h:12: + from /usr/include/c++/13/ext/string_conversions.h:45, + from /usr/include/c++/13/bits/basic_string.h:4109, + from /usr/include/c++/13/string:54, + from /usr/include/c++/13/bits/locale_classes.h:40, + from /usr/include/c++/13/bits/ios_base.h:41, + from /usr/include/c++/13/ios:44, + from /usr/include/c++/13/ostream:40, + from /usr/include/c++/13/iostream:41, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/world.h:58, + from /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/MADworld.h:42: In function 'int sprintf(char*, const char*, ...)', inlined from 'void madness::archive::BaseParallelArchive::open(madness::World&, const char*, int) [with Archive = madness::archive::BinaryFstreamOutputArchive]' at /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/src/madness/world/parallel_archive.h:158:24: /usr/include/x86_64-linux-gnu/bits/stdio2.h:30:34: note: '__builtin___sprintf_chk' output between 8 and 269 bytes into a destination of size 256 @@ -1956,25 +1992,25 @@ make -f src/madness/CMakeFiles/madness.dir/build.make src/madness/CMakeFiles/madness.dir/depend make -f src/madness/mra/CMakeFiles/MADmra.dir/build.make src/madness/mra/CMakeFiles/MADmra.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 /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 /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/CMakeFiles/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" /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=" -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 /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 /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/CMakeFiles/madness.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/CMakeFiles/madness.dir/build.make src/madness/CMakeFiles/madness.dir/build make -f src/madness/mra/CMakeFiles/MADmra.dir/build.make src/madness/mra/CMakeFiles/MADmra.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' -[ 96%] 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 [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 -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 +[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 -E cmake_link_script CMakeFiles/MADmra.dir/link.txt --verbose=1 -/usr/bin/ar qc libmadness.a 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"mra/CMakeFiles/MADmra-obj.dir/mra4.cc.o" "mra/CMakeFiles/MADmra-obj.dir/mra5.cc.o" "mra/CMakeFiles/MADmra-obj.dir/mra6.cc.o" "mra/CMakeFiles/MADmra-obj.dir/startup.cc.o" "mra/CMakeFiles/MADmra-obj.dir/legendre.cc.o" "mra/CMakeFiles/MADmra-obj.dir/twoscale.cc.o" "mra/CMakeFiles/MADmra-obj.dir/qmprop.cc.o" /usr/bin/ranlib libMADmra.a +/usr/bin/ranlib libmadness.a make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' [100%] Built target MADmra make[3]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' @@ -2406,14 +2442,14 @@ 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 200.59 sec + 1/56 Test #1: build_world_unittests ................... Passed 132.62 sec test 2 Start 2: world-test_prof 2: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_prof 2: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 2: Test timeout computed to be: 1500 -2: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +2: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 2: from main before sum=137.934299 2: from A before sum=137.934299 2: from B before sum=137.934299 @@ -2425,8 +2461,8 @@ 2: Parallel environment 2: -------------------- 2: #nodes 1 -2: #threads per node 63+main = 64 -2: #total threads 64 +2: #threads per node 127+main = 128 +2: #total threads 128 2: 2: RMI message statistics (min / avg / max) 2: ---------------------- @@ -2444,19 +2480,55 @@ 2: #max q len per node 0.00e+00 / 0.00e+00 / 0.00e+00 2: #hi-pri tasks per node 0.00e+00 / 0.00e+00 / 0.00e+00 2: -2: Total wall time 0.1s -2: Total cpu time 0.1s +2: Total wall time 0.0s +2: Total cpu time 0.0s 2: 2: MADNESS runtime finalized but 1 world still exists - 2/56 Test #2: world-test_prof ......................... Passed 0.32 sec + 2/56 Test #2: world-test_prof .........................***Timeout 1500.12 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +from main before sum=137.934299 +from A before sum=137.934299 +from B before sum=137.934299 +from A::member sum=137.934299 +from B after sum=275.868598 +from A after sum=275.868598 +from main after sum=275.868598 + + Parallel environment + -------------------- + #nodes 1 + #threads per node 127+main = 128 + #total threads 128 + + RMI message statistics (min / avg / max) + ---------------------- + #messages in server q 0.00e+00 / 0.00e+00 / 0.00e+00 + #messages sent per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #bytes sent per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #messages recv per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #bytes recv per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #msgs systemwide 0.00e+00 + #bytes systemwide 0.00e+00 + + Thread pool statistics (min / avg / max) + ---------------------- + #tasks per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #max q len per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #hi-pri tasks per node 0.00e+00 / 0.00e+00 / 0.00e+00 + + Total wall time 0.0s + Total cpu time 0.0s + +MADNESS runtime finalized but 1 world still exists + test 3 Start 3: world-test_ar 3: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_ar 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 63 threads in the pool and affinity -1 -1 -1 -3: rank=0 fn_ptr_origin=55e0a34cb080 +3: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +3: rank=0 fn_ptr_origin=564d076a4080 3: 3: testing binary fstream archive 3: 0 --> 1 --> 2 --> 3 @@ -2485,28 +2557,65 @@ 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 ........................... Passed 0.61 sec + 3/56 Test #3: world-test_ar ...........................***Timeout 1500.11 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +rank=0 fn_ptr_origin=564d076a4080 + +testing binary fstream archive +0 --> 1 --> 2 --> 3 +0 --> 1 --> 2 --> 3 +error in pi 0.000000e+00 +error in e 0.000000e+00 +Serialization appears to work. + +testing vector archive +0 --> 1 --> 2 --> 3 +0 --> 1 --> 2 --> 3 +error in pi 0.000000e+00 +error in e 0.000000e+00 +Serialization appears to work. + +testing text fstream archive +0 --> 1 --> 2 --> 3 +0 --> 1 --> 2 --> 3 +error in pi 0.000000e+00 +error in e 0.000000e+00 +Serialization appears to work. + +testing buffer archive +0 --> 1 --> 2 --> 3 +0 --> 1 --> 2 --> 3 +error in pi 0.000000e+00 +error in e 0.000000e+00 +Serialization appears to work. + test 4 Start 4: world-test_hashdc 4: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_hashdc 4: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 4: Test timeout computed to be: 1500 -4: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +4: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 4: 99 4: (Key(99),99)(Key(99),99)(Key(99),99) 4: (Key(99),99) 4: MADNESS runtime finalized but 1 world still exists - 4/56 Test #4: world-test_hashdc ....................... Passed 0.15 sec + 4/56 Test #4: world-test_hashdc .......................***Timeout 1500.11 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +99 +(Key(99),99)(Key(99),99)(Key(99),99) +(Key(99),99) +MADNESS runtime finalized but 1 world still exists + test 5 Start 5: world-test_hello 5: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_hello 5: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 5: Test timeout computed to be: 1500 -5: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +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 ........................ Passed 0.26 sec + 5/56 Test #5: world-test_hello ........................ Passed 0.23 sec test 6 Start 6: world-test_atomicint @@ -2514,28 +2623,38 @@ 6: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 6: Test timeout computed to be: 1500 6: small test : 0 -6: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +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 .................... Passed 108.63 sec + 6/56 Test #6: world-test_atomicint ....................***Timeout 1500.14 sec +small test : 0 +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +SUM 300000000 +HI +SUM 10000000 + test 7 Start 7: world-test_future 7: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_future 7: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 7: Test timeout computed to be: 1500 -7: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +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 ....................... Passed 0.24 sec + 7/56 Test #7: world-test_future .......................***Timeout 1500.17 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 + test 8 Start 8: world-test_future2 8: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_future2 8: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 8: Test timeout computed to be: 1500 -8: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +8: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 8: data size 10000 8: World size is 1 8: write section ends @@ -2551,24 +2670,28 @@ 8: rank 0: 6301th data is owned by 0 8: OK! 8: MADNESS runtime finalized but 1 world still exists - 8/56 Test #8: world-test_future2 ...................... Passed 0.24 sec + 8/56 Test #8: world-test_future2 ...................... Passed 0.51 sec test 9 Start 9: world-test_future3 9: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_future3 9: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 9: Test timeout computed to be: 1500 -9: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +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 ...................... Passed 0.18 sec + 9/56 Test #9: world-test_future3 ......................***Timeout 1500.12 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +OK! +MADNESS runtime finalized but 1 world still exists + test 10 Start 10: world-test_dc 10: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_dc 10: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 10: Test timeout computed to be: 1500 -10: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +10: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 10: count after constructor 0 10: count after making 300 10: data distribution info before redistributing @@ -2615,14 +2738,62 @@ 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 ........................... Passed 0.20 sec +10/56 Test #10: world-test_dc ...........................***Timeout 1500.11 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +count after constructor 0 +count after making 300 +data distribution info before redistributing + total: 300 + procs: 300 +data distribution info after redistributing + total: 300 + procs: 300 +count after redistributing 300 +count after from global sz 300 +count after testing 300 +count after clearing c 200 +count after going out of scope without fence 200 +count after first fence 0 +count after second fence 0 +count after constructor 0 +count after making 300 +data distribution info before redistributing + total: 300 + procs: 300 +data distribution info after redistributing + total: 300 + procs: 300 +count after redistributing 300 +count after from global sz 300 +count after testing 300 +count after clearing c 200 +count after going out of scope without fence 200 +count after first fence 0 +count after second fence 0 +count after constructor 0 +count after making 300 +data distribution info before redistributing + total: 300 + procs: 300 +data distribution info after redistributing + total: 300 + procs: 300 +count after redistributing 300 +count after from global sz 300 +count after testing 300 +count after clearing c 200 +count after going out of scope without fence 200 +count after first fence 0 +count after second fence 0 +MADNESS runtime finalized but 1 world still exists + test 11 Start 11: world-test_hashthreaded 11: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_hashthreaded 11: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 11: Test timeout computed to be: 1500 -11: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +11: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 11: small test : 0 11: nelem 1 11: stride 1 @@ -2694,17 +2865,100 @@ 11: stride 11 11: stride 12 11: stride 13 -11: nbin= 100 nent= 100 insert=1.1e-07s/call del=8.0e-08s/call -11: nbin= 100 nent= 1000 insert=1.3e-07s/call del=1.1e-07s/call -11: nbin= 100 nent= 10000 insert=2.9e-06s/call del=2.9e-06s/call -11: nbin= 1000 nent= 1000 insert=1.0e-07s/call del=8.3e-08s/call -11: nbin= 1000 nent= 10000 insert=1.3e-06s/call del=1.5e-07s/call -11: nbin= 1000 nent= 100000 insert=1.1e-05s/call del=9.6e-06s/call -11: nbin= 10000 nent= 10000 insert=8.6e-07s/call del=9.1e-08s/call -11: nbin= 10000 nent= 100000 insert=1.2e-06s/call del=1.0e-06s/call -11: nbin= 10000 nent= 1000000 insert=1.5e-05s/call del=1.0e-01s/call +11: nbin= 100 nent= 100 insert=1.2e-07s/call del=8.4e-08s/call +11: nbin= 100 nent= 1000 insert=1.4e-07s/call del=1.0e-07s/call +11: nbin= 100 nent= 10000 insert=3.2e-06s/call del=2.7e-06s/call +11: nbin= 1000 nent= 1000 insert=1.1e-07s/call del=8.1e-08s/call +11: nbin= 1000 nent= 10000 insert=1.4e-06s/call del=1.5e-07s/call +11: nbin= 1000 nent= 100000 insert=4.5e-06s/call del=4.4e-06s/call +11: nbin= 10000 nent= 10000 insert=1.2e-07s/call del=9.2e-08s/call +11: nbin= 10000 nent= 100000 insert=8.9e-07s/call del=7.8e-07s/call +11: nbin= 10000 nent= 1000000 insert=1.3e-05s/call del=1.3e-05s/call 11: Things seem to be working! -11/56 Test #11: world-test_hashthreaded ................. Passed 150.60 sec +11/56 Test #11: world-test_hashthreaded .................***Timeout 1500.11 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +small test : 0 +nelem 1 + stride 1 + stride 2 + stride 3 + stride 4 + stride 5 + stride 6 + stride 7 + stride 8 + stride 9 + stride 10 + stride 11 + stride 12 + stride 13 +nelem 10 + stride 1 + stride 2 + stride 3 + stride 4 + stride 5 + stride 6 + stride 7 + stride 8 + stride 9 + stride 10 + stride 11 + stride 12 + stride 13 +nelem 100 + stride 1 + stride 2 + stride 3 + stride 4 + stride 5 + stride 6 + stride 7 + stride 8 + stride 9 + stride 10 + stride 11 + stride 12 + stride 13 +nelem 1000 + stride 1 + stride 2 + stride 3 + stride 4 + stride 5 + stride 6 + stride 7 + stride 8 + stride 9 + stride 10 + stride 11 + stride 12 + stride 13 +nelem 10000 + stride 1 + stride 2 + stride 3 + stride 4 + stride 5 + stride 6 + stride 7 + stride 8 + stride 9 + stride 10 + stride 11 + stride 12 + stride 13 +nbin= 100 nent= 100 insert=1.2e-07s/call del=8.4e-08s/call +nbin= 100 nent= 1000 insert=1.4e-07s/call del=1.0e-07s/call +nbin= 100 nent= 10000 insert=3.2e-06s/call del=2.7e-06s/call +nbin= 1000 nent= 1000 insert=1.1e-07s/call del=8.1e-08s/call +nbin= 1000 nent= 10000 insert=1.4e-06s/call del=1.5e-07s/call +nbin= 1000 nent= 100000 insert=4.5e-06s/call del=4.4e-06s/call +nbin= 10000 nent= 10000 insert=1.2e-07s/call del=9.2e-08s/call +nbin= 10000 nent= 100000 insert=8.9e-07s/call del=7.8e-07s/call +nbin= 10000 nent= 1000000 insert=1.3e-05s/call del=1.3e-05s/call +Things seem to be working! + test 12 Start 12: world-test_queue @@ -2712,103 +2966,311 @@ 12: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 12: Test timeout computed to be: 1500 12: small test : 0 -12: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +12: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 12: Total tasks = 10000000 -12: Total runtime = 3.99119 (s) +12: Total runtime = 2.71537 (s) 12: Tasks per thread: -12: 0 65778 -12: 1 151529 -12: 2 173411 -12: 3 142196 -12: 4 166892 -12: 5 175181 -12: 6 161570 -12: 7 142999 -12: 8 189924 -12: 9 173852 -12: 10 122354 -12: 11 142743 -12: 12 170980 -12: 13 113857 -12: 14 152359 -12: 15 148843 -12: 16 164950 -12: 17 125387 -12: 18 140648 -12: 19 132144 -12: 20 159500 -12: 21 140922 -12: 22 150711 -12: 23 140486 -12: 24 175999 -12: 25 199122 -12: 26 132130 -12: 27 148878 -12: 28 465751 -12: 29 136775 -12: 30 145993 -12: 31 172400 -12: 32 118715 -12: 33 144963 -12: 34 286706 -12: 35 153830 -12: 36 159259 -12: 37 138219 -12: 38 182696 -12: 39 140136 -12: 40 119539 -12: 41 137087 -12: 42 189560 -12: 43 136607 -12: 44 133454 -12: 45 124427 -12: 46 136253 -12: 47 148788 -12: 48 154412 -12: 49 186950 -12: 50 176152 -12: 51 114232 -12: 52 175494 -12: 53 206700 -12: 54 124610 -12: 55 161761 -12: 56 125108 -12: 57 130057 -12: 58 170215 -12: 59 147631 -12: 60 115952 -12: 61 148582 -12: 62 129104 -12: 63 156537 +12: 0 45899 +12: 1 175317 +12: 2 257630 +12: 3 179177 +12: 4 73208 +12: 5 193302 +12: 6 71882 +12: 7 223865 +12: 8 91728 +12: 9 60474 +12: 10 101027 +12: 11 125299 +12: 12 79132 +12: 13 71564 +12: 14 82502 +12: 15 173966 +12: 16 114020 +12: 17 104118 +12: 18 131766 +12: 19 137227 +12: 20 110392 +12: 21 108424 +12: 22 47417 +12: 23 93334 +12: 24 48948 +12: 25 46165 +12: 26 54179 +12: 27 80668 +12: 28 46983 +12: 29 107448 +12: 30 37957 +12: 31 49342 +12: 32 97749 +12: 33 53937 +12: 34 58789 +12: 35 61232 +12: 36 44851 +12: 37 63986 +12: 38 46593 +12: 39 63519 +12: 40 43148 +12: 41 47883 +12: 42 49119 +12: 43 46444 +12: 44 59915 +12: 45 49434 +12: 46 41451 +12: 47 50566 +12: 48 44689 +12: 49 88176 +12: 50 47614 +12: 51 57656 +12: 52 105033 +12: 53 101419 +12: 54 76438 +12: 55 45352 +12: 56 54278 +12: 57 115711 +12: 58 94818 +12: 59 114886 +12: 60 68435 +12: 61 56929 +12: 62 55504 +12: 63 86208 +12: 64 105461 +12: 65 44912 +12: 66 53251 +12: 67 54710 +12: 68 101292 +12: 69 128797 +12: 70 43118 +12: 71 53284 +12: 72 96096 +12: 73 113107 +12: 74 48361 +12: 75 50267 +12: 76 56772 +12: 77 105616 +12: 78 79527 +12: 79 105871 +12: 80 50612 +12: 81 75103 +12: 82 59136 +12: 83 123409 +12: 84 75641 +12: 85 54132 +12: 86 52522 +12: 87 51116 +12: 88 111493 +12: 89 54048 +12: 90 45331 +12: 91 51594 +12: 92 52213 +12: 93 96347 +12: 94 88291 +12: 95 53227 +12: 96 109741 +12: 97 46555 +12: 98 84656 +12: 99 69032 +12: 100 45175 +12: 101 65644 +12: 102 50649 +12: 103 109986 +12: 104 53355 +12: 105 45278 +12: 106 54143 +12: 107 55197 +12: 108 56492 +12: 109 47571 +12: 110 62496 +12: 111 41888 +12: 112 52812 +12: 113 56768 +12: 114 55519 +12: 115 80681 +12: 116 55726 +12: 117 59506 +12: 118 52997 +12: 119 53089 +12: 120 71656 +12: 121 112136 +12: 122 98905 +12: 123 127639 +12: 124 115493 +12: 125 62787 +12: 126 51369 +12: 127 144280 12: MADNESS runtime finalized but 1 world still exists -12/56 Test #12: world-test_queue ........................ Passed 4.16 sec +12/56 Test #12: world-test_queue ........................***Timeout 1500.11 sec +small test : 0 +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +Total tasks = 10000000 +Total runtime = 2.71537 (s) +Tasks per thread: +0 45899 +1 175317 +2 257630 +3 179177 +4 73208 +5 193302 +6 71882 +7 223865 +8 91728 +9 60474 +10 101027 +11 125299 +12 79132 +13 71564 +14 82502 +15 173966 +16 114020 +17 104118 +18 131766 +19 137227 +20 110392 +21 108424 +22 47417 +23 93334 +24 48948 +25 46165 +26 54179 +27 80668 +28 46983 +29 107448 +30 37957 +31 49342 +32 97749 +33 53937 +34 58789 +35 61232 +36 44851 +37 63986 +38 46593 +39 63519 +40 43148 +41 47883 +42 49119 +43 46444 +44 59915 +45 49434 +46 41451 +47 50566 +48 44689 +49 88176 +50 47614 +51 57656 +52 105033 +53 101419 +54 76438 +55 45352 +56 54278 +57 115711 +58 94818 +59 114886 +60 68435 +61 56929 +62 55504 +63 86208 +64 105461 +65 44912 +66 53251 +67 54710 +68 101292 +69 128797 +70 43118 +71 53284 +72 96096 +73 113107 +74 48361 +75 50267 +76 56772 +77 105616 +78 79527 +79 105871 +80 50612 +81 75103 +82 59136 +83 123409 +84 75641 +85 54132 +86 52522 +87 51116 +88 111493 +89 54048 +90 45331 +91 51594 +92 52213 +93 96347 +94 88291 +95 53227 +96 109741 +97 46555 +98 84656 +99 69032 +100 45175 +101 65644 +102 50649 +103 109986 +104 53355 +105 45278 +106 54143 +107 55197 +108 56492 +109 47571 +110 62496 +111 41888 +112 52812 +113 56768 +114 55519 +115 80681 +116 55726 +117 59506 +118 52997 +119 53089 +120 71656 +121 112136 +122 98905 +123 127639 +124 115493 +125 62787 +126 51369 +127 144280 +MADNESS runtime finalized but 1 world still exists + test 13 Start 13: world-test_world 13: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_world 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 63 threads in the pool and affinity -1 -1 -1 -13/56 Test #13: world-test_world ........................ Passed 18.99 sec +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 +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 + test 14 Start 14: world-test_worldprofile 14: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_worldprofile 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 63 threads in the pool and affinity -1 -1 -1 -14/56 Test #14: world-test_worldprofile ................. Passed 0.19 sec +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 +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 + test 15 Start 15: world-test_binsorter 15: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_binsorter 15: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 15: Test timeout computed to be: 1500 -15: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +15: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 15: 9.78761 9.78761 15: OK? 1 15: MADNESS runtime finalized but 1 world still exists -15/56 Test #15: world-test_binsorter .................... Passed 0.18 sec +15/56 Test #15: world-test_binsorter ....................***Timeout 1500.11 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +9.78761 9.78761 +OK? 1 +MADNESS runtime finalized but 1 world still exists + test 16 Start 16: world-test_vector @@ -2827,16 +3289,16 @@ 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 0.01 sec +16/56 Test #16: world-test_vector ....................... Passed 0.00 sec test 17 Start 17: world-test_worldptr 17: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_worldptr 17: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 17: Test timeout computed to be: 1500 -17: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +17: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 17: [==========] Running 14 tests from 1 test case. 17: [----------] Global test environment set-up. 17: [----------] 14 tests from WorldPtrTest @@ -2863,25 +3325,25 @@ 17: [ RUN ] WorldPtrTest.Swap 17: [ OK ] WorldPtrTest.Swap (0 ms) 17: [ RUN ] WorldPtrTest.Serialize -17: [ OK ] WorldPtrTest.Serialize (1 ms) +17: [ OK ] WorldPtrTest.Serialize (0 ms) 17: [ RUN ] WorldPtrTest.RemotePtr 17: [ OK ] WorldPtrTest.RemotePtr (0 ms) 17: [ RUN ] WorldPtrTest.RemoteNullPtr 17: [ OK ] WorldPtrTest.RemoteNullPtr (0 ms) -17: [----------] 14 tests from WorldPtrTest (1 ms total) +17: [----------] 14 tests from WorldPtrTest (0 ms total) 17: 17: [----------] Global test environment tear-down -17: [==========] 14 tests from 1 test case ran. (1 ms total) +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 ..................... Passed 0.21 sec +17/56 Test #17: world-test_worldptr ..................... Passed 0.24 sec test 18 Start 18: world-test_worldref 18: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_worldref 18: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 18: Test timeout computed to be: 1500 -18: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +18: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 18: [==========] Running 15 tests from 1 test case. 18: [----------] Global test environment set-up. 18: [----------] 15 tests from WorldRefTest @@ -2912,16 +3374,57 @@ 18: [ RUN ] WorldRefTest.Swap 18: [ OK ] WorldRefTest.Swap (0 ms) 18: [ RUN ] WorldRefTest.Serialize -18: [ OK ] WorldRefTest.Serialize (0 ms) +18: [ OK ] WorldRefTest.Serialize (1 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. (0 ms total) +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 ..................... Passed 0.18 sec +18/56 Test #18: world-test_worldref .....................***Timeout 1500.11 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. +[----------] 15 tests from WorldRefTest +[ RUN ] WorldRefTest.DefaultConstructor +[ OK ] WorldRefTest.DefaultConstructor (0 ms) +[ RUN ] WorldRefTest.PointerConstructor +[ OK ] WorldRefTest.PointerConstructor (0 ms) +[ RUN ] WorldRefTest.CopyConstructor +[ OK ] WorldRefTest.CopyConstructor (0 ms) +[ RUN ] WorldRefTest.CopyConversionConstructor +[ OK ] WorldRefTest.CopyConversionConstructor (0 ms) +[ RUN ] WorldRefTest.CopyAssignment +[ OK ] WorldRefTest.CopyAssignment (0 ms) +[ RUN ] WorldRefTest.CopyConversionAssignment +[ OK ] WorldRefTest.CopyConversionAssignment (0 ms) +[ RUN ] WorldRefTest.Counter +[ OK ] WorldRefTest.Counter (0 ms) +[ RUN ] WorldRefTest.Pointer +[ OK ] WorldRefTest.Pointer (0 ms) +[ RUN ] WorldRefTest.Ownership +[ OK ] WorldRefTest.Ownership (0 ms) +[ RUN ] WorldRefTest.World +[ OK ] WorldRefTest.World (0 ms) +[ RUN ] WorldRefTest.Reset +[ OK ] WorldRefTest.Reset (0 ms) +[ RUN ] WorldRefTest.Boolean +[ OK ] WorldRefTest.Boolean (0 ms) +[ RUN ] WorldRefTest.Swap +[ OK ] WorldRefTest.Swap (0 ms) +[ RUN ] WorldRefTest.Serialize +[ OK ] WorldRefTest.Serialize (1 ms) +[ RUN ] WorldRefTest.RemoteRef +[ OK ] WorldRefTest.RemoteRef (0 ms) +[----------] 15 tests from WorldRefTest (1 ms total) + +[----------] Global test environment tear-down +[==========] 15 tests from 1 test case ran. (1 ms total) +[ PASSED ] 15 tests. +MADNESS runtime finalized but 1 world still exists + test 19 Start 19: world-test_stack @@ -2993,14 +3496,14 @@ 19: [----------] Global test environment tear-down 19: [==========] 24 tests from 4 test cases ran. (0 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 0.00 sec test 20 Start 20: world-test_googletest 20: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_googletest 20: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world 20: Test timeout computed to be: 1500 -20: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +20: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 20: [==========] Running 2 tests from 1 test case. 20: [----------] Global test environment set-up. 20: [----------] 2 tests from WorldTest @@ -3029,15 +3532,17 @@ 20: 20: 1 FAILED TEST 20: MADNESS runtime finalized but 1 world still exists -20/56 Test #20: world-test_googletest ................... Passed 0.16 sec +20/56 Test #20: world-test_googletest ................... Passed 0.55 sec test 21 Start 21: world-test_tree 21: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/world/test_tree 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 63 threads in the pool and affinity -1 -1 -1 -21/56 Test #21: world-test_tree ......................... Passed 0.28 sec +21: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +21/56 Test #21: world-test_tree .........................***Timeout 1500.12 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 + test 22 Start 22: build_misc_unittests @@ -3133,7 +3638,7 @@ 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 2.01 sec +22/56 Test #22: build_misc_unittests .................... Passed 1.32 sec test 23 Start 23: misc-interp3 @@ -3141,7 +3646,7 @@ 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 0.06 sec +23/56 Test #23: misc-interp3 ............................ Passed 0.03 sec test 24 Start 24: build_tensor_unittests @@ -3358,7 +3863,7 @@ 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 166.98 sec +24/56 Test #24: build_tensor_unittests .................. Passed 90.38 sec test 25 Start 25: tensor-test_tensor @@ -3369,20 +3874,20 @@ 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 (16 ms) +25: [ OK ] TensorTest/0.Basic (9 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 (1 ms) +25: [ OK ] TensorTest/0.Transpose (0 ms) 25: [ RUN ] TensorTest/0.Reshaping 25: [ OK ] TensorTest/0.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/0 (17 ms total) +25: [----------] 5 tests from TensorTest/0 (9 ms total) 25: 25: [----------] 5 tests from TensorTest/1, where TypeParam = long 25: [ RUN ] TensorTest/1.Basic -25: [ OK ] TensorTest/1.Basic (5 ms) +25: [ OK ] TensorTest/1.Basic (2 ms) 25: [ RUN ] TensorTest/1.Slicing1d 25: [ OK ] TensorTest/1.Slicing1d (0 ms) 25: [ RUN ] TensorTest/1.SliceAndDice @@ -3391,24 +3896,24 @@ 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 (5 ms total) +25: [----------] 5 tests from TensorTest/1 (3 ms total) 25: 25: [----------] 5 tests from TensorTest/2, where TypeParam = float 25: [ RUN ] TensorTest/2.Basic -25: [ OK ] TensorTest/2.Basic (8 ms) +25: [ OK ] TensorTest/2.Basic (4 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 (1 ms) +25: [ OK ] TensorTest/2.Transpose (0 ms) 25: [ RUN ] TensorTest/2.Reshaping 25: [ OK ] TensorTest/2.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/2 (9 ms total) +25: [----------] 5 tests from TensorTest/2 (4 ms total) 25: 25: [----------] 5 tests from TensorTest/3, where TypeParam = double 25: [ RUN ] TensorTest/3.Basic -25: [ OK ] TensorTest/3.Basic (4 ms) +25: [ OK ] TensorTest/3.Basic (2 ms) 25: [ RUN ] TensorTest/3.Slicing1d 25: [ OK ] TensorTest/3.Slicing1d (0 ms) 25: [ RUN ] TensorTest/3.SliceAndDice @@ -3417,38 +3922,38 @@ 25: [ OK ] TensorTest/3.Transpose (1 ms) 25: [ RUN ] TensorTest/3.Reshaping 25: [ OK ] TensorTest/3.Reshaping (0 ms) -25: [----------] 5 tests from TensorTest/3 (5 ms total) +25: [----------] 5 tests from TensorTest/3 (3 ms total) 25: 25: [----------] 5 tests from TensorTest/4, where TypeParam = std::complex 25: [ RUN ] TensorTest/4.Basic -25: [ OK ] TensorTest/4.Basic (5 ms) +25: [ OK ] TensorTest/4.Basic (2 ms) 25: [ RUN ] TensorTest/4.Slicing1d 25: [ OK ] TensorTest/4.Slicing1d (0 ms) 25: [ RUN ] TensorTest/4.SliceAndDice 25: [ OK ] TensorTest/4.SliceAndDice (0 ms) 25: [ RUN ] TensorTest/4.Transpose -25: [ OK ] TensorTest/4.Transpose (0 ms) +25: [ OK ] TensorTest/4.Transpose (1 ms) 25: [ RUN ] TensorTest/4.Reshaping -25: [ OK ] TensorTest/4.Reshaping (1 ms) -25: [----------] 5 tests from TensorTest/4 (6 ms total) +25: [ OK ] TensorTest/4.Reshaping (0 ms) +25: [----------] 5 tests from TensorTest/4 (3 ms total) 25: 25: [----------] 5 tests from TensorTest/5, where TypeParam = std::complex 25: [ RUN ] TensorTest/5.Basic -25: [ OK ] TensorTest/5.Basic (14 ms) +25: [ OK ] TensorTest/5.Basic (7 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 (1 ms) 25: [ RUN ] TensorTest/5.Transpose 25: [ OK ] TensorTest/5.Transpose (0 ms) 25: [ RUN ] TensorTest/5.Reshaping -25: [ OK ] TensorTest/5.Reshaping (1 ms) -25: [----------] 5 tests from TensorTest/5 (15 ms total) +25: [ OK ] TensorTest/5.Reshaping (0 ms) +25: [----------] 5 tests from TensorTest/5 (8 ms total) 25: 25: [----------] Global test environment tear-down -25: [==========] 30 tests from 6 test cases ran. (57 ms total) +25: [==========] 30 tests from 6 test cases ran. (30 ms total) 25: [ PASSED ] 30 tests. -25/56 Test #25: tensor-test_tensor ...................... Passed 0.07 sec +25/56 Test #25: tensor-test_tensor ...................... Passed 0.04 sec test 26 Start 26: tensor-oldtest @@ -3741,7 +4246,7 @@ 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=1.167420e+03 3.410350e-01 +26: TRANSFORM MOPS=2.630863e+03 1.513310e-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 @@ -3751,7 +4256,7 @@ 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=1.529580e+03 2.602880e-01 +26: TRANSFORM MOPS=2.697183e+03 1.476100e-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) @@ -3761,7 +4266,7 @@ 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=6.728781e+02 5.916840e-01 +26: TRANSFORM MOPS=1.329697e+03 2.994150e-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) @@ -3771,7 +4276,7 @@ 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=5.886249e+02 6.763750e-01 +26: TRANSFORM MOPS=1.089863e+03 3.653040e-01 26: Test7 OK 26: 26: @@ -3779,7 +4284,7 @@ 26: 26: 26: Tensor seems vaguely OK ... fingers crossed -26/56 Test #26: tensor-oldtest .......................... Passed 2.51 sec +26/56 Test #26: tensor-oldtest .......................... Passed 1.38 sec test 27 Start 27: tensor-test_mtxmq @@ -3790,76 +4295,76 @@ 27: Starting to test ... 27: ... OK! 27: type M N K LOOP BLAS (GF/s) -27: (m*m)T*(m*m) 2 2 2 0.19 inf -27: (m*m)T*(m*m) 4 4 4 0.66 0.73 -27: (m*m)T*(m*m) 6 6 6 0.98 1.01 -27: (m*m)T*(m*m) 8 8 8 1.15 1.22 -27: (m*m)T*(m*m) 10 10 10 1.36 1.48 -27: (m*m)T*(m*m) 12 12 12 1.46 1.52 -27: (m*m)T*(m*m) 14 14 14 1.33 1.39 -27: (m*m)T*(m*m) 16 16 16 1.48 1.55 -27: (m*m)T*(m*m) 18 18 18 1.50 1.49 -27: (m*m)T*(m*m) 20 20 20 1.53 1.65 -27: (m*m)T*(m*m) 22 22 22 1.65 1.68 -27: (m*m)T*(m*m) 24 24 24 1.21 1.29 -27: (m*m)T*(m*m) 26 26 26 1.25 1.28 -27: (m*m)T*(m*m) 28 28 28 1.28 1.26 -27: (m*m)T*(m*m) 30 30 30 1.28 1.26 -27: (m*m)T*(m*m) 32 32 32 1.30 1.32 -27: (m*m)T*(m*m) 34 34 34 1.24 1.23 -27: (m*m)T*(m*m) 36 36 36 1.30 1.31 -27: (m*m)T*(m*m) 38 38 38 1.24 1.25 -27: (m*m)T*(m*m) 40 40 40 1.27 1.29 -27: (m*m)T*(m*m) 42 42 42 1.24 1.27 -27: (m*m)T*(m*m) 44 44 44 1.40 1.43 -27: (m*m)T*(m*m) 46 46 46 1.40 1.41 -27: (m*m)T*(m*m) 48 48 48 1.43 1.43 -27: (m*m)T*(m*m) 50 50 50 1.43 1.44 -27: (m*m)T*(m*m) 52 52 52 1.45 1.46 -27: (m*m)T*(m*m) 54 54 54 1.48 1.45 -27: (m*m)T*(m*m) 56 56 56 1.49 1.49 -27: (m*m)T*(m*m) 58 58 58 1.50 1.51 -27: (m*m,m)T*(m*m) 4 2 2 0.28 0.29 -27: (m*m,m)T*(m*m) 16 4 4 1.01 1.18 -27: (m*m,m)T*(m*m) 36 6 6 1.16 1.25 -27: (m*m,m)T*(m*m) 64 8 8 1.39 1.45 -27: (m*m,m)T*(m*m) 100 10 10 1.47 1.53 -27: (m*m,m)T*(m*m) 144 12 12 1.58 1.63 -27: (m*m,m)T*(m*m) 196 14 14 1.55 1.59 -27: (m*m,m)T*(m*m) 256 16 16 1.32 1.33 -27: (m*m,m)T*(m*m) 324 18 18 1.52 1.55 -27: (m*m,m)T*(m*m) 400 20 20 1.57 1.60 -27: (m*m,m)T*(m*m) 484 22 22 1.62 1.64 -27: (m*m,m)T*(m*m) 576 24 24 1.23 1.25 -27: (m*m,m)T*(m*m) 676 26 26 1.29 1.30 -27: (m*m,m)T*(m*m) 784 28 28 1.32 1.33 -27: (m*m,m)T*(m*m) 900 30 30 1.35 1.36 -27: tran(m,m,m) 4 2 2 0.96 inf -27: tran(m,m,m) 16 4 4 1.31 1.47 -27: tran(m,m,m) 36 6 6 1.23 1.33 -27: tran(m,m,m) 64 8 8 1.42 1.49 -27: tran(m,m,m) 100 10 10 1.48 1.53 -27: tran(m,m,m) 144 12 12 1.58 1.63 -27: tran(m,m,m) 196 14 14 1.56 1.59 -27: tran(m,m,m) 256 16 16 1.31 1.33 -27: tran(m,m,m) 324 18 18 1.53 1.55 -27: tran(m,m,m) 400 20 20 1.55 1.61 -27: tran(m,m,m) 484 22 22 1.62 1.64 -27: tran(m,m,m) 576 24 24 1.23 1.25 -27: tran(m,m,m) 676 26 26 1.28 1.29 -27: tran(m,m,m) 784 28 28 1.30 1.32 -27: tran(m,m,m) 900 30 30 1.34 1.31 -27: (20*20,20)T*(20,m) 400 2 20 0.61 0.64 -27: (20*20,20)T*(20,m) 400 4 20 1.22 1.24 -27: (20*20,20)T*(20,m) 400 6 20 1.40 1.41 -27: (20*20,20)T*(20,m) 400 8 20 1.43 1.49 -27: (20*20,20)T*(20,m) 400 10 20 1.55 1.58 -27: (20*20,20)T*(20,m) 400 12 20 1.62 1.57 -27: (20*20,20)T*(20,m) 400 14 20 1.59 1.58 -27: (20*20,20)T*(20,m) 400 16 20 1.57 1.58 -27: (20*20,20)T*(20,m) 400 18 20 1.42 1.50 -27: (20*20,20)T*(20,m) 400 20 20 1.58 1.60 -27/56 Test #27: tensor-test_mtxmq ....................... Passed 452.34 sec +27: (m*m)T*(m*m) 2 2 2 0.35 0.40 +27: (m*m)T*(m*m) 4 4 4 1.21 1.33 +27: (m*m)T*(m*m) 6 6 6 1.73 1.85 +27: (m*m)T*(m*m) 8 8 8 2.08 2.17 +27: (m*m)T*(m*m) 10 10 10 2.27 2.35 +27: (m*m)T*(m*m) 12 12 12 2.29 2.33 +27: (m*m)T*(m*m) 14 14 14 2.39 2.44 +27: (m*m)T*(m*m) 16 16 16 2.46 2.51 +27: (m*m)T*(m*m) 18 18 18 2.52 2.56 +27: (m*m)T*(m*m) 20 20 20 2.03 2.05 +27: (m*m)T*(m*m) 22 22 22 2.60 2.63 +27: (m*m)T*(m*m) 24 24 24 2.63 2.65 +27: (m*m)T*(m*m) 26 26 26 2.65 2.67 +27: (m*m)T*(m*m) 28 28 28 2.68 2.69 +27: (m*m)T*(m*m) 30 30 30 2.69 2.71 +27: (m*m)T*(m*m) 32 32 32 2.71 2.72 +27: (m*m)T*(m*m) 34 34 34 2.72 2.73 +27: (m*m)T*(m*m) 36 36 36 2.72 2.73 +27: (m*m)T*(m*m) 38 38 38 2.31 2.74 +27: (m*m)T*(m*m) 40 40 40 2.32 2.34 +27: (m*m)T*(m*m) 42 42 42 2.35 2.36 +27: (m*m)T*(m*m) 44 44 44 2.39 2.40 +27: (m*m)T*(m*m) 46 46 46 2.41 2.42 +27: (m*m)T*(m*m) 48 48 48 2.44 2.45 +27: (m*m)T*(m*m) 50 50 50 2.47 2.48 +27: (m*m)T*(m*m) 52 52 52 2.49 2.49 +27: (m*m)T*(m*m) 54 54 54 2.51 2.51 +27: (m*m)T*(m*m) 56 56 56 2.53 2.54 +27: (m*m)T*(m*m) 58 58 58 2.55 2.55 +27: (m*m,m)T*(m*m) 4 2 2 0.50 0.59 +27: (m*m,m)T*(m*m) 16 4 4 1.45 1.63 +27: (m*m,m)T*(m*m) 36 6 6 1.95 2.09 +27: (m*m,m)T*(m*m) 64 8 8 2.21 2.30 +27: (m*m,m)T*(m*m) 100 10 10 2.35 2.42 +27: (m*m,m)T*(m*m) 144 12 12 2.32 2.38 +27: (m*m,m)T*(m*m) 196 14 14 2.42 2.47 +27: (m*m,m)T*(m*m) 256 16 16 2.49 2.53 +27: (m*m,m)T*(m*m) 324 18 18 2.54 2.58 +27: (m*m,m)T*(m*m) 400 20 20 2.58 2.61 +27: (m*m,m)T*(m*m) 484 22 22 2.61 2.64 +27: (m*m,m)T*(m*m) 576 24 24 2.64 2.66 +27: (m*m,m)T*(m*m) 676 26 26 2.65 2.67 +27: (m*m,m)T*(m*m) 784 28 28 2.68 2.69 +27: (m*m,m)T*(m*m) 900 30 30 2.69 2.71 +27: tran(m,m,m) 4 2 2 0.42 0.59 +27: tran(m,m,m) 16 4 4 1.43 1.63 +27: tran(m,m,m) 36 6 6 1.94 2.09 +27: tran(m,m,m) 64 8 8 2.21 2.30 +27: tran(m,m,m) 100 10 10 2.34 2.42 +27: tran(m,m,m) 144 12 12 2.32 2.38 +27: tran(m,m,m) 196 14 14 2.42 2.47 +27: tran(m,m,m) 256 16 16 2.49 2.53 +27: tran(m,m,m) 324 18 18 2.54 2.57 +27: tran(m,m,m) 400 20 20 2.58 2.61 +27: tran(m,m,m) 484 22 22 2.61 2.64 +27: tran(m,m,m) 576 24 24 2.64 2.66 +27: tran(m,m,m) 676 26 26 2.65 2.67 +27: tran(m,m,m) 784 28 28 2.67 2.69 +27: tran(m,m,m) 900 30 30 2.69 2.71 +27: (20*20,20)T*(20,m) 400 2 20 1.46 1.41 +27: (20*20,20)T*(20,m) 400 4 20 1.90 1.95 +27: (20*20,20)T*(20,m) 400 6 20 2.25 2.29 +27: (20*20,20)T*(20,m) 400 8 20 2.25 2.29 +27: (20*20,20)T*(20,m) 400 10 20 2.34 2.39 +27: (20*20,20)T*(20,m) 400 12 20 2.42 2.45 +27: (20*20,20)T*(20,m) 400 14 20 2.48 2.51 +27: (20*20,20)T*(20,m) 400 16 20 2.52 2.55 +27: (20*20,20)T*(20,m) 400 18 20 2.55 2.59 +27: (20*20,20)T*(20,m) 400 20 20 2.58 2.61 +27/56 Test #27: tensor-test_mtxmq ....................... Passed 220.32 sec test 28 Start 28: tensor-jimkernel @@ -3877,17 +4382,20 @@ 28: doing box 70 28: doing box 80 28: doing box 90 -28: used 112192 s nflop 8.262e+10 rate 736418 -28/56 Test #28: tensor-jimkernel ........................ Passed 61.56 sec +28: used 32.7719 s nflop 8.262e+10 rate 2.52106e+09 +28/56 Test #28: tensor-jimkernel ........................ Passed 32.83 sec test 29 Start 29: tensor-test_distributed_matrix 29: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor/test_distributed_matrix 29: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor 29: Test timeout computed to be: 1500 -29: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +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 .......... Passed 0.44 sec +29/56 Test #29: tensor-test_distributed_matrix ..........***Timeout 1500.13 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +MADNESS runtime finalized but 1 world still exists + test 30 Start 30: tensor-test_Zmtxmq @@ -3898,124 +4406,126 @@ 30: Starting to test ... 30: ... OK! 30: type M N K LOOP BLAS (GF/s) -30: (m*m)T*(m*m) 2 2 2 inf 0.00 -30: (m*m)T*(m*m) 4 4 4 inf 0.00 -30: (m*m)T*(m*m) 6 6 6 1.77 0.00 -30: (m*m)T*(m*m) 8 8 8 0.81 0.00 -30: (m*m)T*(m*m) 10 10 10 0.67 0.00 -30: (m*m)T*(m*m) 12 12 12 0.75 0.00 -30: (m*m)T*(m*m) 14 14 14 0.71 0.00 -30: (m*m)T*(m*m) 16 16 16 0.69 0.00 -30: (m*m)T*(m*m) 18 18 18 0.72 0.00 -30: (m*m)T*(m*m) 20 20 20 0.77 0.00 -30: (m*m)T*(m*m) 22 22 22 0.74 0.00 -30: (m*m)T*(m*m) 24 24 24 0.56 0.00 -30: (m*m)T*(m*m) 26 26 26 0.55 0.00 -30: (m*m)T*(m*m) 28 28 28 0.56 0.00 -30: (m*m)T*(m*m) 30 30 30 0.56 0.00 -30: (m*m)T*(m*m) 32 32 32 0.65 0.00 -30: (m*m)T*(m*m) 34 34 34 0.65 0.00 -30: (m*m)T*(m*m) 36 36 36 0.67 0.00 -30: (m*m)T*(m*m) 38 38 38 0.67 0.00 -30: (m*m)T*(m*m) 40 40 40 0.68 0.00 -30: (m*m)T*(m*m) 42 42 42 0.69 0.00 -30: (m*m)T*(m*m) 44 44 44 0.70 0.00 -30: (m*m)T*(m*m) 46 46 46 0.69 0.00 -30: (m*m)T*(m*m) 48 48 48 0.70 0.00 -30: (m*m)T*(m*m) 50 50 50 0.71 0.00 -30: (m*m)T*(m*m) 52 52 52 0.71 0.00 -30: (m*m)T*(m*m) 54 54 54 0.71 0.00 -30: (m*m)T*(m*m) 56 56 56 0.71 0.00 -30: (m*m)T*(m*m) 58 58 58 0.72 0.00 -30: (m*m,m)T*(m*m) 1 1 1 inf 0.00 -30: (m*m,m)T*(m*m) 4 2 2 inf 0.00 -30: (m*m,m)T*(m*m) 9 3 3 inf 0.00 -30: (m*m,m)T*(m*m) 16 4 4 1.60 0.00 -30: (m*m,m)T*(m*m) 25 5 5 0.80 0.00 -30: (m*m,m)T*(m*m) 36 6 6 0.63 0.00 -30: (m*m,m)T*(m*m) 49 7 7 0.53 0.00 -30: (m*m,m)T*(m*m) 64 8 8 0.56 0.00 -30: (m*m,m)T*(m*m) 81 9 9 0.61 0.00 -30: (m*m,m)T*(m*m) 100 10 10 0.63 0.00 -30: (m*m,m)T*(m*m) 121 11 11 0.65 0.00 -30: (m*m,m)T*(m*m) 144 12 12 0.68 0.00 -30: (m*m,m)T*(m*m) 169 13 13 0.71 0.00 -30: (m*m,m)T*(m*m) 196 14 14 0.67 0.00 -30: (m*m,m)T*(m*m) 225 15 15 0.67 0.00 -30: (m*m,m)T*(m*m) 256 16 16 0.62 0.00 -30: (m*m,m)T*(m*m) 289 17 17 0.68 0.00 -30: (m*m,m)T*(m*m) 324 18 18 0.69 0.00 -30: (m*m,m)T*(m*m) 361 19 19 0.70 0.00 -30: (m*m,m)T*(m*m) 400 20 20 0.72 0.00 -30: (m*m,m)T*(m*m) 441 21 21 0.72 0.00 -30: (m*m,m)T*(m*m) 484 22 22 0.73 0.00 -30: (m*m,m)T*(m*m) 529 23 23 0.71 0.00 -30: (m*m,m)T*(m*m) 576 24 24 0.61 0.00 -30: (m*m,m)T*(m*m) 625 25 25 0.64 0.00 -30: (m*m,m)T*(m*m) 676 26 26 0.64 0.00 -30: (m*m,m)T*(m*m) 729 27 27 0.65 0.00 -30: (m*m,m)T*(m*m) 784 28 28 0.63 0.00 -30: (m*m,m)T*(m*m) 841 29 29 0.63 0.00 -30: (m*m,m)T*(m*m) 900 30 30 0.63 0.00 -30: tran(m,m,m) 1 1 1 inf 0.00 -30: tran(m,m,m) 4 2 2 inf 0.00 -30: tran(m,m,m) 9 3 3 0.61 0.00 -30: tran(m,m,m) 16 4 4 0.62 0.00 -30: tran(m,m,m) 25 5 5 0.61 0.00 -30: tran(m,m,m) 36 6 6 0.64 0.00 -30: tran(m,m,m) 49 7 7 0.54 0.00 -30: tran(m,m,m) 64 8 8 0.58 0.00 -30: tran(m,m,m) 81 9 9 0.61 0.00 -30: tran(m,m,m) 100 10 10 0.62 0.00 -30: tran(m,m,m) 121 11 11 0.64 0.00 -30: tran(m,m,m) 144 12 12 0.68 0.00 -30: tran(m,m,m) 169 13 13 0.70 0.00 -30: tran(m,m,m) 196 14 14 0.65 0.00 -30: tran(m,m,m) 225 15 15 0.65 0.00 -30: tran(m,m,m) 256 16 16 0.59 0.00 -30: tran(m,m,m) 289 17 17 0.66 0.00 -30: tran(m,m,m) 324 18 18 0.66 0.00 -30: tran(m,m,m) 361 19 19 0.69 0.00 -30: tran(m,m,m) 400 20 20 0.70 0.00 -30: tran(m,m,m) 441 21 21 0.69 0.00 -30: tran(m,m,m) 484 22 22 0.69 0.00 -30: tran(m,m,m) 529 23 23 0.67 0.00 -30: tran(m,m,m) 576 24 24 0.58 0.00 -30: tran(m,m,m) 625 25 25 0.62 0.00 -30: tran(m,m,m) 676 26 26 0.64 0.00 -30: tran(m,m,m) 729 27 27 0.64 0.00 -30: tran(m,m,m) 784 28 28 0.60 0.00 -30: tran(m,m,m) 841 29 29 0.55 0.00 -30: tran(m,m,m) 900 30 30 0.58 0.00 -30: (20*20,20)T*(20,m) 400 1 20 0.29 0.00 -30: (20*20,20)T*(20,m) 400 2 20 0.43 0.00 -30: (20*20,20)T*(20,m) 400 3 20 0.48 0.00 -30: (20*20,20)T*(20,m) 400 4 20 0.55 0.00 -30: (20*20,20)T*(20,m) 400 5 20 0.59 0.00 -30: (20*20,20)T*(20,m) 400 6 20 0.61 0.00 -30: (20*20,20)T*(20,m) 400 7 20 0.51 0.00 -30: (20*20,20)T*(20,m) 400 8 20 0.57 0.00 -30: (20*20,20)T*(20,m) 400 9 20 0.59 0.00 -30: (20*20,20)T*(20,m) 400 10 20 0.64 0.00 -30: (20*20,20)T*(20,m) 400 11 20 0.65 0.00 -30: (20*20,20)T*(20,m) 400 12 20 0.69 0.00 -30: (20*20,20)T*(20,m) 400 13 20 0.68 0.00 -30: (20*20,20)T*(20,m) 400 14 20 0.65 0.00 -30: (20*20,20)T*(20,m) 400 15 20 0.66 0.00 -30: (20*20,20)T*(20,m) 400 16 20 0.65 0.00 -30: (20*20,20)T*(20,m) 400 17 20 0.66 0.00 -30: (20*20,20)T*(20,m) 400 18 20 0.68 0.00 -30: (20*20,20)T*(20,m) 400 19 20 0.68 0.00 -30: (20*20,20)T*(20,m) 400 20 20 0.69 0.00 -30/56 Test #30: tensor-test_Zmtxmq ...................... Passed 28.60 sec +30: (m*m)T*(m*m) 2 2 2 0.13 0.00 +30: (m*m)T*(m*m) 4 4 4 0.37 0.00 +30: (m*m)T*(m*m) 6 6 6 0.53 0.00 +30: (m*m)T*(m*m) 8 8 8 0.57 0.00 +30: (m*m)T*(m*m) 10 10 10 0.57 0.00 +30: (m*m)T*(m*m) 12 12 12 0.57 0.00 +30: (m*m)T*(m*m) 14 14 14 0.58 0.00 +30: (m*m)T*(m*m) 16 16 16 0.59 0.00 +30: (m*m)T*(m*m) 18 18 18 0.60 0.00 +30: (m*m)T*(m*m) 20 20 20 0.62 0.00 +30: (m*m)T*(m*m) 22 22 22 0.55 0.00 +30: (m*m)T*(m*m) 24 24 24 0.59 0.00 +30: (m*m)T*(m*m) 26 26 26 0.61 0.00 +30: (m*m)T*(m*m) 28 28 28 0.60 0.00 +30: (m*m)T*(m*m) 30 30 30 0.59 0.00 +30: (m*m)T*(m*m) 32 32 32 0.28 0.00 +30: (m*m)T*(m*m) 34 34 34 0.27 0.00 +30: (m*m)T*(m*m) 36 36 36 0.56 0.00 +30: (m*m)T*(m*m) 38 38 38 0.60 0.00 +30: (m*m)T*(m*m) 40 40 40 0.59 0.00 +30: (m*m)T*(m*m) 42 42 42 0.58 0.00 +30: (m*m)T*(m*m) 44 44 44 0.32 0.00 +30: (m*m)T*(m*m) 46 46 46 0.57 0.00 +30: (m*m)T*(m*m) 48 48 48 0.56 0.00 +30: (m*m)T*(m*m) 50 50 50 0.57 0.00 +30: (m*m)T*(m*m) 52 52 52 0.58 0.00 +30: (m*m)T*(m*m) 54 54 54 0.56 0.00 +30: (m*m)T*(m*m) 56 56 56 0.57 0.00 +30: (m*m)T*(m*m) 58 58 58 0.57 0.00 +30: (m*m,m)T*(m*m) 1 1 1 0.03 0.00 +30: (m*m,m)T*(m*m) 4 2 2 0.22 0.00 +30: (m*m,m)T*(m*m) 9 3 3 0.46 0.00 +30: (m*m,m)T*(m*m) 16 4 4 0.51 0.00 +30: (m*m,m)T*(m*m) 25 5 5 0.51 0.00 +30: (m*m,m)T*(m*m) 36 6 6 0.53 0.00 +30: (m*m,m)T*(m*m) 49 7 7 0.55 0.00 +30: (m*m,m)T*(m*m) 64 8 8 0.57 0.00 +30: (m*m,m)T*(m*m) 81 9 9 0.58 0.00 +30: (m*m,m)T*(m*m) 100 10 10 0.52 0.00 +30: (m*m,m)T*(m*m) 121 11 11 0.63 0.00 +30: (m*m,m)T*(m*m) 144 12 12 0.52 0.00 +30: (m*m,m)T*(m*m) 169 13 13 0.52 0.00 +30: (m*m,m)T*(m*m) 196 14 14 0.51 0.00 +30: (m*m,m)T*(m*m) 225 15 15 0.53 0.00 +30: (m*m,m)T*(m*m) 256 16 16 0.50 0.00 +30: (m*m,m)T*(m*m) 289 17 17 0.42 0.00 +30: (m*m,m)T*(m*m) 324 18 18 0.54 0.00 +30: (m*m,m)T*(m*m) 361 19 19 0.52 0.00 +30: (m*m,m)T*(m*m) 400 20 20 0.53 0.00 +30: (m*m,m)T*(m*m) 441 21 21 0.57 0.00 +30: (m*m,m)T*(m*m) 484 22 22 0.66 0.00 +30: (m*m,m)T*(m*m) 529 23 23 0.94 0.00 +30: (m*m,m)T*(m*m) 576 24 24 1.01 0.00 +30: (m*m,m)T*(m*m) 625 25 25 1.02 0.00 +30: (m*m,m)T*(m*m) 676 26 26 0.84 0.00 +30: (m*m,m)T*(m*m) 729 27 27 0.52 0.00 +30: (m*m,m)T*(m*m) 784 28 28 0.49 0.00 +30: (m*m,m)T*(m*m) 841 29 29 0.38 0.00 +30: (m*m,m)T*(m*m) 900 30 30 0.43 0.00 +30: tran(m,m,m) 1 1 1 0.02 0.00 +30: tran(m,m,m) 4 2 2 0.20 0.00 +30: tran(m,m,m) 9 3 3 0.33 0.00 +30: tran(m,m,m) 16 4 4 0.42 0.00 +30: tran(m,m,m) 25 5 5 0.46 0.00 +30: tran(m,m,m) 36 6 6 0.47 0.00 +30: tran(m,m,m) 49 7 7 0.53 0.00 +30: tran(m,m,m) 64 8 8 0.78 0.00 +30: tran(m,m,m) 81 9 9 0.91 0.00 +30: tran(m,m,m) 100 10 10 0.89 0.00 +30: tran(m,m,m) 121 11 11 0.90 0.00 +30: tran(m,m,m) 144 12 12 0.99 0.00 +30: tran(m,m,m) 169 13 13 1.02 0.00 +30: tran(m,m,m) 196 14 14 1.04 0.00 +30: tran(m,m,m) 225 15 15 1.05 0.00 +30: tran(m,m,m) 256 16 16 1.06 0.00 +30: tran(m,m,m) 289 17 17 1.06 0.00 +30: tran(m,m,m) 324 18 18 1.07 0.00 +30: tran(m,m,m) 361 19 19 1.07 0.00 +30: tran(m,m,m) 400 20 20 1.08 0.00 +30: tran(m,m,m) 441 21 21 1.08 0.00 +30: tran(m,m,m) 484 22 22 1.08 0.00 +30: tran(m,m,m) 529 23 23 1.09 0.00 +30: tran(m,m,m) 576 24 24 1.09 0.00 +30: tran(m,m,m) 625 25 25 1.09 0.00 +30: tran(m,m,m) 676 26 26 1.09 0.00 +30: tran(m,m,m) 729 27 27 1.10 0.00 +30: tran(m,m,m) 784 28 28 1.10 0.00 +30: tran(m,m,m) 841 29 29 1.10 0.00 +30: tran(m,m,m) 900 30 30 1.11 0.00 +30: (20*20,20)T*(20,m) 400 1 20 0.54 0.00 +30: (20*20,20)T*(20,m) 400 2 20 0.72 0.00 +30: (20*20,20)T*(20,m) 400 3 20 0.83 0.00 +30: (20*20,20)T*(20,m) 400 4 20 0.85 0.00 +30: (20*20,20)T*(20,m) 400 5 20 0.91 0.00 +30: (20*20,20)T*(20,m) 400 6 20 0.94 0.00 +30: (20*20,20)T*(20,m) 400 7 20 0.96 0.00 +30: (20*20,20)T*(20,m) 400 8 20 0.98 0.00 +30: (20*20,20)T*(20,m) 400 9 20 1.00 0.00 +30: (20*20,20)T*(20,m) 400 10 20 1.02 0.00 +30: (20*20,20)T*(20,m) 400 11 20 1.03 0.00 +30: (20*20,20)T*(20,m) 400 12 20 1.04 0.00 +30: (20*20,20)T*(20,m) 400 13 20 1.04 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 1.05 0.00 +30: (20*20,20)T*(20,m) 400 16 20 1.06 0.00 +30: (20*20,20)T*(20,m) 400 17 20 1.07 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 1.07 0.00 +30: (20*20,20)T*(20,m) 400 20 20 1.08 0.00 +30/56 Test #30: tensor-test_Zmtxmq ...................... Passed 22.71 sec test 31 Start 31: tensor-test_systolic 31: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/tensor/test_systolic 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 63 threads in the pool and affinity -1 -1 -1 -31/56 Test #31: tensor-test_systolic .................... Passed 689.39 sec +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 +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 + test 32 Start 32: build_linalg_unittests @@ -4172,7 +4682,7 @@ 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 11.79 sec +32/56 Test #32: build_linalg_unittests .................. Passed 7.71 sec test 33 Start 33: linalg-test_linalg @@ -4267,7 +4777,7 @@ 33: error in double inverse 8.92867e-17 33: 33: Test passed -33/56 Test #33: linalg-test_linalg ...................... Passed 0.18 sec +33/56 Test #33: linalg-test_linalg ...................... Passed 0.09 sec test 34 Start 34: linalg-test_solvers @@ -4316,7 +4826,7 @@ 34: line search grad=-4.84e-11 hess=5.06e-11 mode=downhill newstep=0.958 34: predicted -1.000000000000e+00 34: QuasiNewton iteration 13 value -1.000000000000e+00 gradient 6.20e-08 -34/56 Test #34: linalg-test_solvers ..................... Passed 0.02 sec +34/56 Test #34: linalg-test_solvers ..................... Passed 0.01 sec test 35 Start 35: linalg-testseprep @@ -4631,122 +5141,192 @@ 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 335.39 sec +36/56 Test #36: build_mra_unittests ..................... Passed 190.83 sec test 37 Start 37: mra-testbsh 37: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testbsh 37: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 37: Test timeout computed to be: 1500 -37: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +37: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 37: small test : false 37: Test BSH operation, type = double , ndim = 3 37: 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 3.26419531e+01 +37: done in time 2.49007253e+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 9.24099937e+00 +37: done in time 6.24770421e+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 3.80743542e+00 +37: done in time 2.55869782e+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 2.54375588e+00 +37: done in time 1.80785245e+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 2.48001228e+00 +37: done in time 1.66948254e+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 2.73401230e+00 +37: done in time 1.87332861e+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 2.83253390e+00 +37: done in time 2.25022282e+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 3.74309186e+00 +37: done in time 2.96326632e+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 1.04200496e+05 +37: done in time 3.70890535e+00 37: err in opf 7.32280643e-08 37: err in f 6.84994563e-08 37: MADNESS runtime finalized but 1 world still exists -37/56 Test #37: mra-testbsh ............................. Passed 170.90 sec +37/56 Test #37: mra-testbsh .............................***Timeout 1500.12 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 + + Testing with k 4 +norm and error of the initial function 1.000000e+00 1.441089e-06 +applying - 1 +done in time 2.49007253e+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 6.24770421e+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 2.55869782e+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 1.80785245e+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 1.66948254e+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 1.87332861e+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 2.25022282e+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 2.96326632e+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 3.70890535e+00 +err in opf 7.32280643e-08 +err in f 6.84994563e-08 +MADNESS runtime finalized but 1 world still exists + test 38 Start 38: mra-testproj 38: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testproj 38: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 38: Test timeout computed to be: 1500 -38: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +38: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 38: small test : true 38: I think the cell volume is 8.00000000e+00 38: L 4.00000000e+00 3.18309886e+01 6.35777509e+01 3 11 -38: error in 1 dimensions 3.89132988e-10 +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 2.81635695e-09 +38: error in 2 dimensions 2.81594935e-09 38: MADNESS runtime finalized but 1 world still exists -38/56 Test #38: mra-testproj ............................ Passed 2.92 sec +38/56 Test #38: mra-testproj ............................***Timeout 1500.11 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +small test : true +I think the cell volume is 8.00000000e+00 +L 4.00000000e+00 3.18309886e+01 6.35777509e+01 3 11 +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 2.81594935e-09 +MADNESS runtime finalized but 1 world still exists + test 39 Start 39: mra-testpdiff 39: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testpdiff 39: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 39: Test timeout computed to be: 1500 -39: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 -39: !!MADNESS: Hung queue? -39: !!MADNESS: Hung queue? -39: !!MADNESS: Hung queue? -39: !!MADNESS: Hung queue? -39: !!MADNESS: Hung queue? -39: !!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 2 pending task(s) -39: terminate called after throwing an instance of 'madness::MadnessException' -39: what(): ThreadPool::await() timed out after 900.0 seconds -39/56 Test #39: mra-testpdiff ...........................Subprocess aborted***Exception: 1.37 sec -MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 2 pending task(s) -terminate called after throwing an instance of 'madness::MadnessException' - what(): ThreadPool::await() timed out after 900.0 seconds +39: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +39: 0 error 2.997260e-05 +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 +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +0 error 2.997260e-05 +1 error 2.997260e-05 +2 error 2.997260e-05 +MADNESS runtime finalized but 1 world still exists test 40 Start 40: mra-testdiff1Db @@ -4754,20 +5334,27 @@ 40: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testdiff1Db 40: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 40: Test timeout computed to be: 1500 -40: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +40: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 40: Error in du1: 3.44763e-09 PASSED 40: Error in du2: 3.98564e-09 PASSED 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 ......................... Passed 2.27 sec +40/56 Test #40: mra-testdiff1Db .........................***Timeout 1500.12 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 +Error in du3: 3.53212e-09 PASSED +Error in du4: 3.98564e-09 PASSED +MADNESS runtime finalized but 1 world still exists + test 41 Start 41: mra-testgconv 41: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testgconv 41: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 41: Test timeout computed to be: 1500 -41: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +41: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 41: threshold 1.000000e-06 41: polynomial 10 41: @@ -4789,14 +5376,37 @@ 41: success 6a 0 41: success 6b 0 41: MADNESS runtime finalized but 1 world still exists -41/56 Test #41: mra-testgconv ........................... Passed 2.54 sec +41/56 Test #41: mra-testgconv ...........................***Timeout 1500.12 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 + threshold 1.000000e-06 + polynomial 10 + +Test gconv operation +error in integral(g) -1.110223e-16 +success 0 0 +error in integral(op(g)) -2.699802e-08 +success 1 0 +norm2(g conv g - exact) 2.918238e-07 +success 2 0 +error in integral(h) 3.166036e-18 +success 3 0 +error in norm2(h) -5.504486e-13 +success 4 0 +norm2(g conv h - exact) 8.813232e-07 +success 5 0 +norm2(conv' g - exact) 3.609134e-07 +norm2(conv g' - exact) 3.515971e-07 +success 6a 0 +success 6b 0 +MADNESS runtime finalized but 1 world still exists + test 42 Start 42: mra-testopdir 42: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testopdir 42: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 42: Test timeout computed to be: 1500 -42: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +42: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 42: small test : false 42: Test different operations in different dirs 42: norm of initial function 1.000000e+00 1.389196e-06 @@ -4832,14 +5442,51 @@ 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 ........................... Passed 78.12 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 +norm of initial function 1.000000e+00 1.389196e-06 +m = [0,0,0] , norm = 2.240451e-01 , norm exact = 2.240449e-01 , err = 1.935514e-06 PASS +m = [0,0,1] , norm = 2.095751e-01 , norm exact = 2.095748e-01 , err = 2.583104e-06 PASS +m = [0,0,2] , norm = 3.395504e-01 , norm exact = 3.395500e-01 , err = 1.042004e-05 PASS +m = [0,1,0] , norm = 2.074255e-01 , norm exact = 2.074253e-01 , err = 1.826061e-06 PASS +m = [0,1,1] , norm = 1.940289e-01 , norm exact = 1.940286e-01 , err = 3.093914e-06 PASS +m = [0,1,2] , norm = 3.143620e-01 , norm exact = 3.143623e-01 , err = 9.464513e-06 PASS +m = [0,2,0] , norm = 3.326204e-01 , norm exact = 3.326204e-01 , err = 5.530054e-06 PASS +m = [0,2,1] , norm = 3.111380e-01 , norm exact = 3.111379e-01 , err = 6.200782e-06 PASS +m = [0,2,2] , norm = 5.041014e-01 , norm exact = 5.041011e-01 , err = 1.902422e-05 PASS +m = [1,0,0] , norm = 2.045242e-01 , norm exact = 2.045241e-01 , err = 2.362870e-06 PASS +m = [1,0,1] , norm = 1.913148e-01 , norm exact = 1.913148e-01 , err = 2.045427e-06 PASS +m = [1,0,2] , norm = 3.099656e-01 , norm exact = 3.099654e-01 , err = 9.195837e-06 PASS +m = [1,1,0] , norm = 1.893524e-01 , norm exact = 1.893525e-01 , err = 9.720014e-07 PASS +m = [1,1,1] , norm = 1.771233e-01 , norm exact = 1.771231e-01 , err = 2.320932e-06 PASS +m = [1,1,2] , norm = 2.869723e-01 , norm exact = 2.869722e-01 , err = 9.198204e-06 PASS +m = [1,2,0] , norm = 3.036396e-01 , norm exact = 3.036395e-01 , err = 6.554050e-06 PASS +m = [1,2,1] , norm = 2.840286e-01 , norm exact = 2.840288e-01 , err = 7.551762e-06 PASS +m = [1,2,2] , norm = 4.601790e-01 , norm exact = 4.601792e-01 , err = 2.060616e-05 PASS +m = [2,0,0] , norm = 3.233810e-01 , norm exact = 3.233810e-01 , err = 5.711666e-07 PASS +m = [2,0,1] , norm = 3.024952e-01 , norm exact = 3.024952e-01 , err = 3.345299e-06 PASS +m = [2,0,2] , norm = 4.900982e-01 , norm exact = 4.900983e-01 , err = 1.489803e-05 PASS +m = [2,1,0] , norm = 2.993926e-01 , norm exact = 2.993926e-01 , err = 2.092183e-06 PASS +m = [2,1,1] , norm = 2.800560e-01 , norm exact = 2.800562e-01 , err = 4.392962e-06 PASS +m = [2,1,2] , norm = 4.537430e-01 , norm exact = 4.537428e-01 , err = 1.656676e-05 PASS +m = [2,2,0] , norm = 4.800964e-01 , norm exact = 4.800963e-01 , err = 1.756093e-05 PASS +m = [2,2,1] , norm = 4.490889e-01 , norm exact = 4.490889e-01 , err = 1.826873e-05 PASS +m = [2,2,2] , norm = 7.276074e-01 , norm exact = 7.276072e-01 , err = 4.870744e-05 PASS +err in Q -8.992806e-15 +0 9.351799e-06 PASS +1 1.018302e-05 PASS +2 6.559646e-06 PASS +MADNESS runtime finalized but 1 world still exists + test 43 Start 43: mra-testinnerext 43: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testinnerext 43: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 43: Test timeout computed to be: 1500 -43: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +43: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 43: small test : false 43: *************************************************************************** 43: alpha is a highly oscillatory function (x^2 sin(x^2)). @@ -4848,16 +5495,16 @@ 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 >) 2.16s 2.33s -43: timer: 3. < a | b_ffi > 1.64s 1.77s +43: timer: 1. < a | b >) 0.75s 0.75s +43: timer: 3. < a | b_ffi > 0.73s 0.73s 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 > 3.03s 3.27s -43: timer: 6. < b | a_ffi > 0.52s 0.56s +43: timer: 4. < b | a > 1.80s 1.80s +43: timer: 6. < b | a_ffi > 0.53s 0.53s 43: 43: Test for correctness 43: *************************************************************************** @@ -4879,14 +5526,55 @@ 43: (using inner_ext() with FunctionFunctor Interface) = 32575.6066406312 43: *************************************************************************** 43: MADNESS runtime finalized but 1 world still exists -43/56 Test #43: mra-testinnerext ........................ Passed 20.84 sec +43/56 Test #43: mra-testinnerext ........................***Timeout 1500.12 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +small test : false +*************************************************************************** +alpha is a highly oscillatory function (x^2 sin(x^2)). +beta is a pretty boring Gaussian. +For the first two timers, the cost of computing alpha in +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 >) 0.75s 0.75s +timer: 3. < a | b_ffi > 0.73s 0.73s + +*************************************************************************** +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 > 1.80s 1.80s +timer: 6. < b | a_ffi > 0.53s 0.53s + +Test for correctness +*************************************************************************** + (using inner() with Function) = 32572.3622504952 + (using inner_ext() with FunctionFunctor Interface) = 32572.3622504952 +*************************************************************************** + (using inner() with Function) = 1.9687012432 + (using inner_ext() with FunctionFunctor Interface) = 1.9687012432 +*************************************************************************** + (using inner() with Function) = 3.2443901360 + (using inner_ext() with FunctionFunctor Interface) = 3.2443901360 + (using inner() with Function) = 3.2443901360 + (using inner_ext() with FunctionFunctor Interface) = 3.2443901360 +*************************************************************************** + +Check that inner_ext works for Function that lacks a functor +*************************************************************************** + (using inner() with Function) = 32575.6066406311 + (using inner_ext() with FunctionFunctor Interface) = 32575.6066406312 +*************************************************************************** +MADNESS runtime finalized but 1 world still exists + test 44 Start 44: mra-testgaxpyext 44: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testgaxpyext 44: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 44: Test timeout computed to be: 1500 -44: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +44: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 44: small test : false 44: *************************************************************************** 44: alpha is a highly oscillatory function (x^2 sin(x^2)). @@ -4894,16 +5582,16 @@ 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 3.24s 3.49s -44: timer: 2. alpha + beta_func 7.11s 7.65s +44: timer: 1. alpha + beta 1.36s 1.36s +44: timer: 2. alpha + beta_func 2.96s 2.96s 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 104228.99s 4.05s -44: timer: 4. beta + alpha_func -104221.00s 4.56s +44: timer: 3. beta + alpha 2.04s 2.04s +44: timer: 4. beta + alpha_func 1.88s 1.88s 44: *************************************************************************** 44: Test for correctness by comparing the 2-norms. 44: (1) norm of apb = 180.4767147248537924 @@ -4911,36 +5599,62 @@ 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 ........................ Passed 28.99 sec +44/56 Test #44: mra-testgaxpyext ........................***Timeout 1500.11 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +small test : false +*************************************************************************** +alpha is a highly oscillatory function (x^2 sin(x^2)). +beta is a pretty boring Gaussian. +For the first two timers, the cost of computing alpha in +the numerical basis is not included. + +timer: 1. alpha + beta 1.36s 1.36s +timer: 2. alpha + beta_func 2.96s 2.96s +*************************************************************************** +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 2.04s 2.04s +timer: 4. beta + alpha_func 1.88s 1.88s +*************************************************************************** +Test for correctness by comparing the 2-norms. +(1) norm of apb = 180.4767147248537924 +(2) norm of apb_ext = 180.4767147248540198 +(3) norm of apb = 180.4767147248537924 +(4) norm of apb_ext = 180.4767147248545598 +MADNESS runtime finalized but 1 world still exists + test 45 Start 45: mra-testvmra 45: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testvmra 45: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 45: Test timeout computed to be: 1500 -45: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +45: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 45: small test : 0 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 0.11s 0.12s -45: timer: compress 0.07s 0.07s -45: timer: new 0.07s 0.07s -45: timer: old 9.18s 9.88s -45: error norm 2.062429e-15 +45: timer: project 0.26s 0.26s +45: timer: compress 0.06s 0.06s +45: timer: new 0.05s 0.05s +45: timer: old 5.46s 5.46s +45: error norm 2.508959e-15 45: 45: testing matrix_inner< double , double > sym = true -45: timer: project 0.10s 0.10s -45: timer: compress 0.04s 0.05s -45: timer: new 0.09s 0.09s -45: timer: old 4.56s 4.90s +45: timer: project 0.14s 0.14s +45: timer: compress 0.06s 0.06s +45: timer: new 0.11s 0.11s +45: timer: old 2.78s 2.78s 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 1.917388e-15 1.559791e+00 2.247142e+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 0.04s 0.04s -45: timer: compress 0.04s 0.04s +45: timer: project 0.05s 0.05s +45: timer: compress 0.03s 0.03s 45: error norm1 0.000000e+00 45: 45: error norm2 0.000000e+00 @@ -4950,8 +5664,8 @@ 45: error norm4 7.750007e-04 (should not be zero) 45: 45: testing cross product< std::complex , double > -45: timer: project 0.04s 0.04s -45: timer: compress 0.03s 0.03s +45: timer: project 0.06s 0.06s +45: timer: compress 0.05s 0.05s 45: error norm1 0.000000e+00 45: 45: error norm2 0.000000e+00 @@ -4961,8 +5675,8 @@ 45: error norm4 2.738394e-04 (should not be zero) 45: 45: testing cross product< std::complex , std::complex > -45: timer: project 0.08s 0.08s -45: timer: compress 0.02s 0.03s +45: timer: project 0.06s 0.06s +45: timer: compress 0.02s 0.02s 45: error norm1 0.000000e+00 45: 45: error norm2 0.000000e+00 @@ -4972,51 +5686,148 @@ 45: error norm4 1.169653e-03 (should not be zero) 45: 45: testing rot operator< double , double > -45: timer: project 0.09s 0.09s -45: timer: compress 0.03s 0.03s +45: timer: project 0.08s 0.08s +45: timer: compress 0.02s 0.02s 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 0.09s -45: timer: compress 0.03s 0.03s -45: error norm1 2.967773e-16 +45: timer: project 0.07s 0.07s +45: timer: compress 0.02s 0.02s +45: error norm1 2.874658e-16 45: 45: error norm2 8.636784e-07 45: -45: error in multi_to_multi 2.495356e-15 1.568688e+00 2.313399e+00 +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 0.33s 0.35s -45: timer: compress 0.07s 0.07s -45: timer: new 0.10s 0.11s -45: !!MADNESS: Hung queue? -45: timer: old 104267.25s 12.09s -45: error norm 3.438478e-15 +45: timer: project 0.15s 0.15s +45: timer: compress 0.05s 0.05s +45: timer: new 0.03s 0.03s +45: timer: old 4.82s 4.82s +45: error norm 1.438962e-15 45: 45: testing matrix_inner< std::complex , double > sym = false -45: timer: project 0.34s 0.34s -45: timer: compress 0.12s 0.12s -45: timer: new 0.11s 0.11s -45: timer: old -104246.23s 10.60s -45: error norm 4.116792e-15 +45: timer: project 0.27s 0.27s +45: timer: compress 0.05s 0.05s +45: timer: new 0.13s 0.13s +45: timer: old 4.89s 4.89s +45: error norm 3.241298e-15 45: 45: testing matrix_inner< std::complex , std::complex > sym = false -45: timer: project 0.48s 0.52s -45: timer: compress 0.10s 0.11s -45: timer: new 0.10s 0.10s -45: timer: old 10.38s 11.17s -45: error norm 5.215899e-15 +45: timer: project 0.30s 0.30s +45: timer: compress 0.08s 0.08s +45: timer: new 0.04s 0.04s +45: timer: old 5.24s 5.24s +45: error norm 4.600532e-15 45: 45: testing matrix_inner< std::complex , std::complex > sym = true -45: timer: project 0.29s 0.32s -45: timer: compress 0.05s 0.06s -45: timer: new 0.07s 0.08s -45: timer: old 4.69s 5.05s -45: error norm 3.773029e-15 +45: timer: project 0.08s 0.08s +45: timer: compress 0.04s 0.04s +45: timer: new 0.03s 0.03s +45: timer: old 1.87s 1.87s +45: error norm 4.608014e-15 45: 45: MADNESS runtime finalized but 1 world still exists -45/56 Test #45: mra-testvmra ............................ Passed 92.86 sec +45/56 Test #45: mra-testvmra ............................***Timeout 1500.11 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 0.26s 0.26s +timer: compress 0.06s 0.06s +timer: new 0.05s 0.05s +timer: old 5.46s 5.46s +error norm 2.508959e-15 + +testing matrix_inner< double , double > sym = true +timer: project 0.14s 0.14s +timer: compress 0.06s 0.06s +timer: new 0.11s 0.11s +timer: old 2.78s 2.78s +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 0.05s 0.05s +timer: compress 0.03s 0.03s +error norm1 0.000000e+00 + +error norm2 0.000000e+00 + +error norm3 0.000000e+00 + +error norm4 7.750007e-04 (should not be zero) + +testing cross product< std::complex , double > +timer: project 0.06s 0.06s +timer: compress 0.05s 0.05s +error norm1 0.000000e+00 + +error norm2 0.000000e+00 + +error norm3 0.000000e+00 + +error norm4 2.738394e-04 (should not be zero) + +testing cross product< std::complex , std::complex > +timer: project 0.06s 0.06s +timer: compress 0.02s 0.02s +error norm1 0.000000e+00 + +error norm2 0.000000e+00 + +error norm3 0.000000e+00 + +error norm4 1.169653e-03 (should not be zero) + +testing rot operator< double , double > +timer: project 0.08s 0.08s +timer: compress 0.02s 0.02s +error norm1 5.791588e-05 + +error norm2 3.808435e-05 + +testing rot operator< std::complex , std::complex > +timer: project 0.07s 0.07s +timer: compress 0.02s 0.02s +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 0.15s 0.15s +timer: compress 0.05s 0.05s +timer: new 0.03s 0.03s +timer: old 4.82s 4.82s +error norm 1.438962e-15 + +testing matrix_inner< std::complex , double > sym = false +timer: project 0.27s 0.27s +timer: compress 0.05s 0.05s +timer: new 0.13s 0.13s +timer: old 4.89s 4.89s +error norm 3.241298e-15 + +testing matrix_inner< std::complex , std::complex > sym = false +timer: project 0.30s 0.30s +timer: compress 0.08s 0.08s +timer: new 0.04s 0.04s +timer: old 5.24s 5.24s +error norm 4.600532e-15 + +testing matrix_inner< std::complex , std::complex > sym = true +timer: project 0.08s 0.08s +timer: compress 0.04s 0.04s +timer: new 0.03s 0.03s +timer: old 1.87s 1.87s +error norm 4.608014e-15 + +MADNESS runtime finalized but 1 world still exists + test 46 Start 46: build_mra_sepop_unittests @@ -5266,25 +6077,25 @@ 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 205.03 sec +46/56 Test #46: build_mra_sepop_unittests ............... Passed 124.06 sec test 47 Start 47: mra_sepop-testsuite 47: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testsuite 47: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 47: Test timeout computed to be: 1500 -47: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +47: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 47: 47: -------------------------------------------- 47: MADNESS 0.10.1 multiresolution testsuite 47: -------------------------------------------- 47: 47: number of processors ... 1 -47: processor frequency ... 2.79923e+09 +47: processor frequency ... 2.39441e+09 47: host system ... Linux -47: configured by ... pbuilder1 -47: configured on ... ionos11-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 @@ -5620,11 +6431,11 @@ 47: in this particular case the threshold in loosened by a factor of 40 47: 47: timer: project 0.00s 0.00s -47: timer: compress 0.00s 0.00s +47: timer: compress 0.01s 0.01s 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: diff 0.00s 0.00s 47: timer: err 0.00s 0.00s 47: test_diff : 660 : err in test_diff : 1.93e-09 < 1.10e-08 : OK 47: error 1.93270596e-09 @@ -5632,10 +6443,10 @@ 47: Test separated operators - type = double , ndim = 1 47: 47: test_rnlp OK -47: timer: project 0.01s 0.01s +47: timer: project 0.00s 0.00s 47: f norm is 1.00000000e+00 47: f total error 5.36725532e-11 -47: timer: apply 0.09s 0.10s +47: timer: apply 0.11s 0.11s 47: numeric at origin 8.51674586e-01 47: analytic at origin 8.51674586e-01 47: op*f norm is 5.49100487e-01 @@ -6189,22 +7000,22 @@ 47: in this particular case the threshold in loosened by a factor of 40 47: 47: timer: project 0.00s 0.00s -47: timer: compress 0.00s 0.00s +47: timer: compress 0.01s 0.01s 47: timer: truncate 0.00s 0.00s -47: timer: reconstruct 0.02s 0.02s +47: timer: reconstruct 0.01s 0.01s 47: doing axis 0 47: timer: diff 0.00s 0.00s -47: timer: err 0.01s 0.01s +47: timer: err 0.00s 0.00s 47: test_diff : 660 : err in test_diff : 1.93e-09 < 1.10e-08 : OK 47: error 1.93270350e-09 47: 47: Test separated operators - type = std::complex , ndim = 1 47: 47: test_rnlp OK -47: timer: project 0.01s 0.01s +47: timer: project 0.00s 0.00s 47: f norm is 1.00000000e+00 47: f total error 5.36725531e-11 -47: timer: apply 0.13s 0.14s +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 @@ -6427,10 +7238,10 @@ 47: test_basic : 222 : err : 8.09e-06 < 3.00e-05 : OK 47: test_basic : 223 : error at a point : 5.07e-08 < 1.00e-05 : OK 47: test_basic : 227 : new_norm : 1.11e-16 < 1.00e-14 : OK -47: test_basic : 232 : new_norm : 6.66e-16 < 1.00e-14 : OK +47: test_basic : 232 : new_norm : 5.55e-16 < 1.00e-14 : OK 47: test_basic : 233 : new_err : 1.19e-20 < 1.00e-14 : OK -47: test_basic : 237 : new_norm : 1.11e-15 < 1.00e-14 : OK -47: test_basic : 242 : new_norm : 1.11e-15 < 1.00e-09 : OK +47: test_basic : 237 : new_norm : 9.99e-16 < 1.00e-14 : OK +47: test_basic : 242 : new_norm : 9.99e-16 < 1.00e-09 : OK 47: test_basic : 243 : new_err : 8.09e-06 < 3.00e-05 : OK 47: projection, compression, reconstruction, truncation OK true 47: @@ -6544,7 +7355,7 @@ 47: n=1 err=4.75e-04 #coeff=1.44e+03 log(err)/(n*k)=4.03e-01 47: n=2 err=1.54e-06 #coeff=5.78e+03 log(err)/(n*k)=3.52e-01 47: n=3 err=9.20e-11 #coeff=2.31e+04 log(err)/(n*k)=4.05e-01 -47: n=4 err=2.58e-15 #coeff=9.24e+04 log(err)/(n*k)=4.42e-01 +47: n=4 err=2.59e-15 #coeff=9.24e+04 log(err)/(n*k)=4.42e-01 47: n=5 err=2.93e-15 #coeff=3.70e+05 log(err)/(n*k)=3.52e-01 47: k=20 47: n=1 err=2.13e-04 #coeff=1.60e+03 log(err)/(n*k)=4.23e-01 @@ -6610,7 +7421,7 @@ 47: n=1 err=7.20e-07 #coeff=3.60e+03 log(err)/(n*k)=4.71e-01 47: n=2 err=5.22e-12 #coeff=1.44e+04 log(err)/(n*k)=4.33e-01 47: n=3 err=6.99e-15 #coeff=5.76e+04 log(err)/(n*k)=3.62e-01 -47: n=4 err=5.15e-15 #coeff=2.30e+05 log(err)/(n*k)=2.74e-01 +47: n=4 err=5.14e-15 #coeff=2.30e+05 log(err)/(n*k)=2.74e-01 47: n=5 err=5.42e-15 #coeff=9.22e+05 log(err)/(n*k)=2.19e-01 47: test conv OK 47: @@ -6623,14 +7434,14 @@ 47: test_math : 377 : err in unaryp_op negate : 5.57e-16 < 1.00e-10 : OK 47: test_math : 384 : err in unaryp_op square : 0.00e+00 < 1.00e-10 : OK 47: test_math : 427 :add scalar in place compressed : 1.42e-14 < 1.00e-12 : OK -47: test_math : 433 :in-place scaling reconstructed : 1.42e-14 < 1.00e-12 : OK -47: test_math : 439 : in-place scaling compressed : 2.70e-13 < 1.00e-12 : OK -47: test_math : 445 : in-place scaling (op) recon : 2.61e-12 < 1.00e-11 : OK -47: test_math : 451 : in-place scaling (op) comp : 2.18e-11 < 1.00e-10 : OK +47: test_math : 433 :in-place scaling reconstructed : 2.13e-14 < 1.00e-12 : OK +47: test_math : 439 : in-place scaling compressed : 2.84e-13 < 1.00e-12 : OK +47: test_math : 445 : in-place scaling (op) recon : 3.18e-12 < 1.00e-11 : OK +47: test_math : 451 : in-place scaling (op) comp : 2.91e-11 < 1.00e-10 : OK 47: test_math : 457 : err in fsq by multiplication : 9.15e-09 < 3.00e-08 : OK 47: nnn 1.00000000e+00 -47: test_math : 471 : general op unchanged input : 1.91e-21 < 1.00e-14 : OK -47: test_math : 473 : general op output : 8.31e-15 < 1.00e-13 : OK +47: test_math : 471 : general op unchanged input : 3.10e-22 < 1.00e-14 : OK +47: test_math : 473 : general op output : 7.63e-15 < 1.00e-13 : OK 47: 47: Test multiplying random functions 47: test 0 @@ -6685,7 +7496,7 @@ 47: 47: Test multioperation 47: -47: Test DONE multi 3.16479310e-14 +47: Test DONE multi 3.16090643e-14 47: 47: Test adding random functions out of place 47: test 0 @@ -6751,28 +7562,28 @@ 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 0.03s 0.03s -47: timer: compress 0.03s 0.03s -47: timer: truncate 0.02s 0.02s -47: timer: reconstruct 0.02s 0.02s +47: timer: project 0.00s 0.00s +47: timer: compress 0.01s 0.01s +47: timer: truncate 0.00s 0.00s +47: timer: reconstruct 0.01s 0.01s 47: doing axis 0 -47: timer: diff 0.02s 0.02s -47: timer: err 0.02s 0.02s +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 6.64550309e-09 +47: error 6.64550318e-09 47: doing axis 1 -47: timer: diff 0.03s 0.03s -47: timer: err 0.03s 0.03s +47: timer: diff 0.02s 0.02s +47: timer: err 0.01s 0.01s 47: test_diff : 660 : err in test_diff : 6.65e-09 < 1.10e-08 : OK -47: error 6.64550291e-09 +47: error 6.64550289e-09 47: 47: Test separated operators - type = double , ndim = 2 47: 47: test_rnlp OK -47: timer: project 0.03s 0.03s +47: timer: project 0.01s 0.01s 47: f norm is 1.00000000e+00 47: f total error 2.30397738e-10 -47: timer: apply 0.03s 0.04s +47: timer: apply 0.04s 0.04s 47: numeric at origin 7.25349601e-01 47: analytic at origin 7.25349601e-01 47: op*f norm is 3.01511345e-01 @@ -6996,7 +7807,7 @@ 47: test_basic : 223 : error at a point : 9.95e-07 < 1.00e-05 : OK 47: test_basic : 227 : new_norm : 4.44e-16 < 1.00e-14 : OK 47: test_basic : 232 : new_norm : 1.67e-15 < 1.00e-14 : OK -47: test_basic : 233 : new_err : 1.02e-20 < 1.00e-14 : OK +47: test_basic : 233 : new_err : 6.78e-21 < 1.00e-14 : OK 47: test_basic : 237 : new_norm : 1.89e-15 < 1.00e-14 : OK 47: test_basic : 242 : new_norm : 1.89e-15 < 1.00e-09 : OK 47: test_basic : 243 : new_err : 2.05e-05 < 3.00e-05 : OK @@ -7138,7 +7949,7 @@ 47: k=27 47: n=1 err=4.05e-06 #coeff=1.57e+05 log(err)/(n*k)=4.60e-01 47: n=2 err=3.97e-10 #coeff=1.26e+06 log(err)/(n*k)=4.01e-01 -47: n=3 err=8.51e-15 #coeff=1.01e+07 log(err)/(n*k)=4.00e-01 +47: n=3 err=8.52e-15 #coeff=1.01e+07 log(err)/(n*k)=4.00e-01 47: n=4 err=6.45e-15 #coeff=8.06e+07 log(err)/(n*k)=3.03e-01 47: k=28 47: n=1 err=3.31e-06 #coeff=1.76e+05 log(err)/(n*k)=4.51e-01 @@ -7163,46 +7974,470 @@ 47: test_math : 367 : err in f before squaring : 2.88e-09 < 3.00e-09 : OK 47: test_math : 370 : err in f after squaring : 0.00e+00 < 2.88e-23 : OK 47: test_math : 372 : err in fsq : 2.14e-08 < 2.20e-08 : OK -47: test_math : 377 : err in unaryp_op negate : 7.09e-16 < 1.00e-10 : OK +47: test_math : 377 : err in unaryp_op negate : 7.13e-16 < 1.00e-10 : OK 47: test_math : 384 : err in unaryp_op square : 0.00e+00 < 1.00e-10 : OK -47: test_math : 427 :add scalar in place compressed : 5.33e-14 < 1.00e-12 : OK +47: test_math : 427 :add scalar in place compressed : 5.51e-14 < 1.00e-12 : OK 47: test_math : 433 :in-place scaling reconstructed : 1.35e-13 < 1.00e-12 : OK -47: test_math : 439 : in-place scaling compressed : 8.67e-13 < 1.00e-12 : OK -47: test_math : 445 : in-place scaling (op) recon : 4.32e-12 < 1.00e-11 : OK -47: test_math : 451 : in-place scaling (op) comp : 4.09e-11 < 1.00e-10 : OK +47: test_math : 439 : in-place scaling compressed : 8.10e-13 < 1.00e-12 : OK +47: test_math : 445 : in-place scaling (op) recon : 4.55e-12 < 1.00e-11 : OK +47: test_math : 451 : in-place scaling (op) comp : 4.27e-11 < 1.00e-10 : OK 47: test_math : 457 : err in fsq by multiplication : 2.14e-08 < 3.00e-08 : OK 47: nnn 1.00000000e+00 -47: test_math : 471 : general op unchanged input : 1.14e-21 < 1.00e-14 : OK -47: test_math : 473 : general op output : 1.33e-14 < 1.00e-13 : OK +47: test_math : 471 : general op unchanged input : 4.00e-22 < 1.00e-14 : OK +47: test_math : 473 : general op output : 1.25e-14 < 1.00e-13 : OK 47: 47: Test multiplying random functions -47: !!MADNESS: Hung queue? -47: !!MADNESS: Hung queue? -47: !!MADNESS: Hung queue? -47: !!MADNESS: Hung queue? -47: !!MADNESS: Hung queue? -47: !!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 1 pending task(s) -47: -47: MadnessException : -47: -47: msg=à"ÿ : -47: value=1 : line=1462 : function=await : filename='./src/madness/world/thread.h' -47: -47: MADNESS: fatal error: caught a MADNESS exception -47: Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 -47/56 Test #47: mra_sepop-testsuite .....................***Failed 119.01 sec -MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +47: test 0 +47: test_math : 498 : err1 : 1.83e-09 < 1.00e-08 : OK +47: test_math : 499 : err2 : 3.87e-09 < 1.00e-08 : OK +47: test_math : 500 : err3 : 2.61e-14 < 1.00e-08 : OK +47: test 1 +47: test_math : 498 : err1 : 2.20e-09 < 1.00e-08 : OK +47: test_math : 499 : err2 : 1.36e-09 < 1.00e-08 : OK +47: test_math : 500 : err3 : 1.07e-100 < 1.00e-08 : OK +47: test 2 +47: test_math : 498 : err1 : 3.97e-09 < 1.00e-08 : OK +47: test_math : 499 : err2 : 1.04e-09 < 1.00e-08 : OK +47: test_math : 500 : err3 : 1.29e-12 < 1.00e-08 : OK +47: test 3 +47: test_math : 498 : err1 : 8.33e-10 < 1.00e-08 : OK +47: test_math : 499 : err2 : 4.36e-09 < 1.00e-08 : OK +47: test_math : 500 : err3 : 8.26e-17 < 1.00e-08 : OK +47: test 4 +47: test_math : 498 : err1 : 7.20e-10 < 1.00e-08 : OK +47: test_math : 499 : err2 : 1.02e-09 < 1.00e-08 : OK +47: test_math : 500 : err3 : 0.00e+00 < 1.00e-08 : OK +47: +47: Test multiplying a vector of random functions +47: test_math : 530 : err : 6.85e-15 < 1.00e-08 : OK +47: test_math : 530 : err : 6.35e-14 < 1.00e-08 : OK +47: test_math : 530 : err : 2.09e-20 < 1.00e-08 : OK +47: test_math : 530 : err : 1.52e-17 < 1.00e-08 : OK +47: test_math : 530 : err : 6.81e-17 < 1.00e-08 : OK +47: +47: Test refining down to a common level +47: +47: Test multioperation +47: +47: Test DONE multi 9.22710131e-14 +47: +47: Test adding random functions out of place +47: test 0 +47: test_math : 562 : err1 : 1.52e-09 < 1.00e-08 : OK +47: test_math : 563 : err2 : 8.05e-10 < 1.00e-08 : OK +47: test_math : 564 : err3 : 1.72e-09 < 1.00e-08 : OK +47: test 1 +47: test_math : 562 : err1 : 2.09e-09 < 1.00e-08 : OK +47: test_math : 563 : err2 : 2.69e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 3.42e-09 < 1.00e-08 : OK +47: test 2 +47: test_math : 562 : err1 : 3.85e-09 < 1.00e-08 : OK +47: test_math : 563 : err2 : 1.57e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 4.16e-09 < 1.00e-08 : OK +47: test 3 +47: test_math : 562 : err1 : 7.56e-10 < 1.00e-08 : OK +47: test_math : 563 : err2 : 8.78e-10 < 1.00e-08 : OK +47: test_math : 564 : err3 : 1.16e-09 < 1.00e-08 : OK +47: test 4 +47: test_math : 562 : err1 : 3.81e-09 < 1.00e-08 : OK +47: test_math : 563 : err2 : 4.32e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 5.78e-09 < 1.00e-08 : OK +47: test 5 +47: test_math : 562 : err1 : 4.06e-09 < 1.00e-08 : OK +47: test_math : 563 : err2 : 1.19e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 4.23e-09 < 1.00e-08 : OK +47: test 6 +47: test_math : 562 : err1 : 2.21e-09 < 1.00e-08 : OK +47: test_math : 563 : err2 : 1.34e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 2.59e-09 < 1.00e-08 : OK +47: test 7 +47: test_math : 562 : err1 : 8.46e-10 < 1.00e-08 : OK +47: test_math : 563 : err2 : 3.07e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 3.18e-09 < 1.00e-08 : OK +47: test 8 +47: test_math : 562 : err1 : 3.85e-09 < 1.00e-08 : OK +47: test_math : 563 : err2 : 2.36e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 4.52e-09 < 1.00e-08 : OK +47: test 9 +47: test_math : 562 : err1 : 9.23e-10 < 1.00e-08 : OK +47: test_math : 563 : err2 : 2.71e-09 < 1.00e-08 : OK +47: test_math : 564 : err3 : 2.87e-09 < 1.00e-08 : OK +47: +47: Test adding random functions in place +47: test 0 +47: test_math : 581 : err1 : 3.93e-09 < 1.00e-08 : OK +47: test_math : 582 : err2 : 2.17e-09 < 1.00e-08 : OK +47: test 1 +47: test_math : 581 : err1 : 5.56e-09 < 1.00e-08 : OK +47: test_math : 582 : err2 : 4.67e-09 < 1.00e-08 : OK +47: test 2 +47: test_math : 581 : err1 : 6.24e-09 < 1.00e-08 : OK +47: test_math : 582 : err2 : 4.21e-09 < 1.00e-08 : OK +47: test 3 +47: test_math : 581 : err1 : 4.66e-09 < 1.00e-08 : OK +47: test_math : 582 : err2 : 4.30e-09 < 1.00e-08 : OK +47: test 4 +47: test_math : 581 : err1 : 4.75e-09 < 1.00e-08 : OK +47: test_math : 582 : err2 : 3.79e-09 < 1.00e-08 : OK +47: true +47: +47: Test differentiation - type = double , ndim = 3 +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 0.09s 0.09s +47: timer: compress 0.04s 0.04s +47: timer: truncate 0.02s 0.02s +47: timer: reconstruct 0.04s 0.04s +47: doing axis 0 +47: timer: diff 0.05s 0.05s +47: timer: err 0.03s 0.03s +47: test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK +47: error 1.04688288e-08 +47: doing axis 1 +47: timer: diff 0.03s 0.03s +47: timer: err 0.05s 0.05s +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 0.04s 0.04s +47: timer: err 0.02s 0.02s +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 0.10s 0.10s +47: f norm is 1.00000000e+00 +47: f total error 5.40466946e-10 +47: timer: apply 0.30s 0.30s +47: numeric at origin 6.17761821e-01 +47: analytic at origin 6.17761821e-01 +47: op*f norm is 1.65560026e-01 +47: op*f total error 9.87258981e-09 +47: test_op : 767 : err in test_op : 9.87e-09 < 3.00e-08 : OK +47: +47: Test Coulomb operator - type = double , ndim = 3 (only) +47: +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 0.06s 0.06s +47: +47: before operator +47: +47: timer: apply 3.02s 3.02s +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 +47: op*f total error 1.21353196e-07 +47: test_coulomb : 901 : err in test_coulomb : 1.21e-07 < 1.00e-06 : OK +47: +47: Test plot cube - type = double , ndim = 3 +47: +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 6.88e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.43e-27 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 7.80e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.80e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 8.49e-29 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.52e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.13e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.35e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.03e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.52e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.64e-30 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 5.14e-29 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.88e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.32e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.91e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.01e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.32e-28 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.42e-27 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.81e-26 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.44e-26 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.95e-25 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.47e-24 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.15e-23 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.90e-23 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.90e-22 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 8.73e-12 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.69e-21 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.89e-21 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.25e-20 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.07e-19 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.31e-19 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.78e-19 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.79e-18 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 7.57e-18 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.99e-17 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.99e-17 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.19e-16 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.75e-16 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 6.08e-16 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.28e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.61e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 5.07e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.44e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.68e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.87e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.69e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 7.33e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.09e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.55e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.10e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.70e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.30e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.80e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.10e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.13e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.76e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.00e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.89e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.95e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.01e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.47e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.70e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.61e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 5.10e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 5.17e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.90e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.36e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.67e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.93e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.23e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.62e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.12e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 7.41e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.69e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.84e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.65e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.20e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.91e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.52e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.24e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 5.85e-16 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.65e-16 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.15e-16 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.82e-17 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.94e-17 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 7.45e-18 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.76e-18 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.28e-19 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.37e-19 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.11e-19 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.50e-20 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.07e-20 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.11e-21 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 8.74e-22 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.36e-22 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 6.12e-23 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.52e-23 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.73e-24 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.54e-25 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.26e-26 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.33e-24 < 2.00e-07 : OK +47: evaluation of cube/slice for plotting OK true +47: +47: Test IO - type = double , ndim = 3 +47: +47: err = 0.00000000e+00 +47: test_io : 1223 : test_io : 0.00e+00 < 1.00e-12 : OK +47: test_io OK +47: +47: Test plot cube - type = double , ndim = 4 +47: +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.66e-30 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.29e-32 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 8.66e-32 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.71e-32 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.75e-29 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 8.43e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.29e-21 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.81e-18 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.62e-16 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.79e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.06e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.17e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 2.89e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 4.39e-13 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 8.05e-14 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.33e-15 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 3.47e-17 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.21e-20 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 1.26e-22 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 6.13e-22 < 2.00e-07 : OK +47: test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK +47: test_plot : 1165 : plot-eval : 9.64e-21 < 2.00e-07 : OK +47: evaluation of cube/slice for plotting OK true +47: entering final fence +47: done with final fence +47: +47: Final tensor instance count 0 +47: +47: Parallel environment +47: -------------------- +47: #nodes 1 +47: #threads per node 127+main = 128 +47: #total threads 128 +47: +47: RMI message statistics (min / avg / max) +47: ---------------------- +47: #messages in server q 0.00e+00 / 0.00e+00 / 0.00e+00 +47: #messages sent per node 0.00e+00 / 0.00e+00 / 0.00e+00 +47: #bytes sent per node 0.00e+00 / 0.00e+00 / 0.00e+00 +47: #messages recv per node 0.00e+00 / 0.00e+00 / 0.00e+00 +47: #bytes recv per node 0.00e+00 / 0.00e+00 / 0.00e+00 +47: #msgs systemwide 0.00e+00 +47: #bytes systemwide 0.00e+00 +47: +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 1.38e+04 / 1.38e+04 / 1.38e+04 +47: #hi-pri tasks per node 3.28e+05 / 3.28e+05 / 3.28e+05 +47: +47: Total wall time 79.2s +47: Total cpu time 79.2s +47: +47: testsuite passed: true +47: +47/56 Test #47: mra_sepop-testsuite .....................***Timeout 1500.12 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 -------------------------------------------- MADNESS 0.10.1 multiresolution testsuite -------------------------------------------- number of processors ... 1 - processor frequency ... 2.79923e+09 + processor frequency ... 2.39441e+09 host system ... Linux - configured by ... pbuilder1 - configured on ... ionos11-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 @@ -7538,11 +8773,11 @@ in this particular case the threshold in loosened by a factor of 40 timer: project 0.00s 0.00s -timer: compress 0.00s 0.00s +timer: compress 0.01s 0.01s timer: truncate 0.00s 0.00s timer: reconstruct 0.00s 0.00s doing axis 0 -timer: diff 0.01s 0.01s +timer: diff 0.00s 0.00s timer: err 0.00s 0.00s test_diff : 660 : err in test_diff : 1.93e-09 < 1.10e-08 : OK error 1.93270596e-09 @@ -7550,10 +8785,10 @@ Test separated operators - type = double , ndim = 1 test_rnlp OK -timer: project 0.01s 0.01s +timer: project 0.00s 0.00s f norm is 1.00000000e+00 f total error 5.36725532e-11 -timer: apply 0.09s 0.10s +timer: apply 0.11s 0.11s numeric at origin 8.51674586e-01 analytic at origin 8.51674586e-01 op*f norm is 5.49100487e-01 @@ -8107,22 +9342,22 @@ in this particular case the threshold in loosened by a factor of 40 timer: project 0.00s 0.00s -timer: compress 0.00s 0.00s +timer: compress 0.01s 0.01s timer: truncate 0.00s 0.00s -timer: reconstruct 0.02s 0.02s +timer: reconstruct 0.01s 0.01s doing axis 0 timer: diff 0.00s 0.00s -timer: err 0.01s 0.01s +timer: err 0.00s 0.00s test_diff : 660 : err in test_diff : 1.93e-09 < 1.10e-08 : OK error 1.93270350e-09 Test separated operators - type = std::complex , ndim = 1 test_rnlp OK -timer: project 0.01s 0.01s +timer: project 0.00s 0.00s f norm is 1.00000000e+00 f total error 5.36725531e-11 -timer: apply 0.13s 0.14s +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 @@ -8345,10 +9580,10 @@ test_basic : 222 : err : 8.09e-06 < 3.00e-05 : OK test_basic : 223 : error at a point : 5.07e-08 < 1.00e-05 : OK test_basic : 227 : new_norm : 1.11e-16 < 1.00e-14 : OK - test_basic : 232 : new_norm : 6.66e-16 < 1.00e-14 : OK + test_basic : 232 : new_norm : 5.55e-16 < 1.00e-14 : OK test_basic : 233 : new_err : 1.19e-20 < 1.00e-14 : OK - test_basic : 237 : new_norm : 1.11e-15 < 1.00e-14 : OK - test_basic : 242 : new_norm : 1.11e-15 < 1.00e-09 : OK + test_basic : 237 : new_norm : 9.99e-16 < 1.00e-14 : OK + test_basic : 242 : new_norm : 9.99e-16 < 1.00e-09 : OK test_basic : 243 : new_err : 8.09e-06 < 3.00e-05 : OK projection, compression, reconstruction, truncation OK true @@ -8462,7 +9697,7 @@ n=1 err=4.75e-04 #coeff=1.44e+03 log(err)/(n*k)=4.03e-01 n=2 err=1.54e-06 #coeff=5.78e+03 log(err)/(n*k)=3.52e-01 n=3 err=9.20e-11 #coeff=2.31e+04 log(err)/(n*k)=4.05e-01 - n=4 err=2.58e-15 #coeff=9.24e+04 log(err)/(n*k)=4.42e-01 + n=4 err=2.59e-15 #coeff=9.24e+04 log(err)/(n*k)=4.42e-01 n=5 err=2.93e-15 #coeff=3.70e+05 log(err)/(n*k)=3.52e-01 k=20 n=1 err=2.13e-04 #coeff=1.60e+03 log(err)/(n*k)=4.23e-01 @@ -8528,7 +9763,7 @@ n=1 err=7.20e-07 #coeff=3.60e+03 log(err)/(n*k)=4.71e-01 n=2 err=5.22e-12 #coeff=1.44e+04 log(err)/(n*k)=4.33e-01 n=3 err=6.99e-15 #coeff=5.76e+04 log(err)/(n*k)=3.62e-01 - n=4 err=5.15e-15 #coeff=2.30e+05 log(err)/(n*k)=2.74e-01 + n=4 err=5.14e-15 #coeff=2.30e+05 log(err)/(n*k)=2.74e-01 n=5 err=5.42e-15 #coeff=9.22e+05 log(err)/(n*k)=2.19e-01 test conv OK @@ -8541,14 +9776,14 @@ test_math : 377 : err in unaryp_op negate : 5.57e-16 < 1.00e-10 : OK test_math : 384 : err in unaryp_op square : 0.00e+00 < 1.00e-10 : OK test_math : 427 :add scalar in place compressed : 1.42e-14 < 1.00e-12 : OK - test_math : 433 :in-place scaling reconstructed : 1.42e-14 < 1.00e-12 : OK - test_math : 439 : in-place scaling compressed : 2.70e-13 < 1.00e-12 : OK - test_math : 445 : in-place scaling (op) recon : 2.61e-12 < 1.00e-11 : OK - test_math : 451 : in-place scaling (op) comp : 2.18e-11 < 1.00e-10 : OK + test_math : 433 :in-place scaling reconstructed : 2.13e-14 < 1.00e-12 : OK + test_math : 439 : in-place scaling compressed : 2.84e-13 < 1.00e-12 : OK + test_math : 445 : in-place scaling (op) recon : 3.18e-12 < 1.00e-11 : OK + test_math : 451 : in-place scaling (op) comp : 2.91e-11 < 1.00e-10 : OK test_math : 457 : err in fsq by multiplication : 9.15e-09 < 3.00e-08 : OK nnn 1.00000000e+00 - test_math : 471 : general op unchanged input : 1.91e-21 < 1.00e-14 : OK - test_math : 473 : general op output : 8.31e-15 < 1.00e-13 : OK + test_math : 471 : general op unchanged input : 3.10e-22 < 1.00e-14 : OK + test_math : 473 : general op output : 7.63e-15 < 1.00e-13 : OK Test multiplying random functions test 0 @@ -8603,7 +9838,7 @@ Test multioperation -Test DONE multi 3.16479310e-14 +Test DONE multi 3.16090643e-14 Test adding random functions out of place test 0 @@ -8669,28 +9904,28 @@ note that differentiation does not preserve the accuracy in this particular case the threshold in loosened by a factor of 40 -timer: project 0.03s 0.03s -timer: compress 0.03s 0.03s -timer: truncate 0.02s 0.02s -timer: reconstruct 0.02s 0.02s +timer: project 0.00s 0.00s +timer: compress 0.01s 0.01s +timer: truncate 0.00s 0.00s +timer: reconstruct 0.01s 0.01s doing axis 0 -timer: diff 0.02s 0.02s -timer: err 0.02s 0.02s +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 6.64550309e-09 + error 6.64550318e-09 doing axis 1 -timer: diff 0.03s 0.03s -timer: err 0.03s 0.03s +timer: diff 0.02s 0.02s +timer: err 0.01s 0.01s test_diff : 660 : err in test_diff : 6.65e-09 < 1.10e-08 : OK - error 6.64550291e-09 + error 6.64550289e-09 Test separated operators - type = double , ndim = 2 test_rnlp OK -timer: project 0.03s 0.03s +timer: project 0.01s 0.01s f norm is 1.00000000e+00 f total error 2.30397738e-10 -timer: apply 0.03s 0.04s +timer: apply 0.04s 0.04s numeric at origin 7.25349601e-01 analytic at origin 7.25349601e-01 op*f norm is 3.01511345e-01 @@ -8914,7 +10149,7 @@ test_basic : 223 : error at a point : 9.95e-07 < 1.00e-05 : OK test_basic : 227 : new_norm : 4.44e-16 < 1.00e-14 : OK test_basic : 232 : new_norm : 1.67e-15 < 1.00e-14 : OK - test_basic : 233 : new_err : 1.02e-20 < 1.00e-14 : OK + test_basic : 233 : new_err : 6.78e-21 < 1.00e-14 : OK test_basic : 237 : new_norm : 1.89e-15 < 1.00e-14 : OK test_basic : 242 : new_norm : 1.89e-15 < 1.00e-09 : OK test_basic : 243 : new_err : 2.05e-05 < 3.00e-05 : OK @@ -9056,7 +10291,7 @@ k=27 n=1 err=4.05e-06 #coeff=1.57e+05 log(err)/(n*k)=4.60e-01 n=2 err=3.97e-10 #coeff=1.26e+06 log(err)/(n*k)=4.01e-01 - n=3 err=8.51e-15 #coeff=1.01e+07 log(err)/(n*k)=4.00e-01 + n=3 err=8.52e-15 #coeff=1.01e+07 log(err)/(n*k)=4.00e-01 n=4 err=6.45e-15 #coeff=8.06e+07 log(err)/(n*k)=3.03e-01 k=28 n=1 err=3.31e-06 #coeff=1.76e+05 log(err)/(n*k)=4.51e-01 @@ -9081,33 +10316,457 @@ test_math : 367 : err in f before squaring : 2.88e-09 < 3.00e-09 : OK test_math : 370 : err in f after squaring : 0.00e+00 < 2.88e-23 : OK test_math : 372 : err in fsq : 2.14e-08 < 2.20e-08 : OK - test_math : 377 : err in unaryp_op negate : 7.09e-16 < 1.00e-10 : OK + test_math : 377 : err in unaryp_op negate : 7.13e-16 < 1.00e-10 : OK test_math : 384 : err in unaryp_op square : 0.00e+00 < 1.00e-10 : OK - test_math : 427 :add scalar in place compressed : 5.33e-14 < 1.00e-12 : OK + test_math : 427 :add scalar in place compressed : 5.51e-14 < 1.00e-12 : OK test_math : 433 :in-place scaling reconstructed : 1.35e-13 < 1.00e-12 : OK - test_math : 439 : in-place scaling compressed : 8.67e-13 < 1.00e-12 : OK - test_math : 445 : in-place scaling (op) recon : 4.32e-12 < 1.00e-11 : OK - test_math : 451 : in-place scaling (op) comp : 4.09e-11 < 1.00e-10 : OK + test_math : 439 : in-place scaling compressed : 8.10e-13 < 1.00e-12 : OK + test_math : 445 : in-place scaling (op) recon : 4.55e-12 < 1.00e-11 : OK + test_math : 451 : in-place scaling (op) comp : 4.27e-11 < 1.00e-10 : OK test_math : 457 : err in fsq by multiplication : 2.14e-08 < 3.00e-08 : OK nnn 1.00000000e+00 - test_math : 471 : general op unchanged input : 1.14e-21 < 1.00e-14 : OK - test_math : 473 : general op output : 1.33e-14 < 1.00e-13 : OK + test_math : 471 : general op unchanged input : 4.00e-22 < 1.00e-14 : OK + test_math : 473 : general op output : 1.25e-14 < 1.00e-13 : OK Test multiplying random functions -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 1 pending task(s) + test 0 + test_math : 498 : err1 : 1.83e-09 < 1.00e-08 : OK + test_math : 499 : err2 : 3.87e-09 < 1.00e-08 : OK + test_math : 500 : err3 : 2.61e-14 < 1.00e-08 : OK + test 1 + test_math : 498 : err1 : 2.20e-09 < 1.00e-08 : OK + test_math : 499 : err2 : 1.36e-09 < 1.00e-08 : OK + test_math : 500 : err3 : 1.07e-100 < 1.00e-08 : OK + test 2 + test_math : 498 : err1 : 3.97e-09 < 1.00e-08 : OK + test_math : 499 : err2 : 1.04e-09 < 1.00e-08 : OK + test_math : 500 : err3 : 1.29e-12 < 1.00e-08 : OK + test 3 + test_math : 498 : err1 : 8.33e-10 < 1.00e-08 : OK + test_math : 499 : err2 : 4.36e-09 < 1.00e-08 : OK + test_math : 500 : err3 : 8.26e-17 < 1.00e-08 : OK + test 4 + test_math : 498 : err1 : 7.20e-10 < 1.00e-08 : OK + test_math : 499 : err2 : 1.02e-09 < 1.00e-08 : OK + test_math : 500 : err3 : 0.00e+00 < 1.00e-08 : OK + +Test multiplying a vector of random functions + test_math : 530 : err : 6.85e-15 < 1.00e-08 : OK + test_math : 530 : err : 6.35e-14 < 1.00e-08 : OK + test_math : 530 : err : 2.09e-20 < 1.00e-08 : OK + test_math : 530 : err : 1.52e-17 < 1.00e-08 : OK + test_math : 530 : err : 6.81e-17 < 1.00e-08 : OK + +Test refining down to a common level + +Test multioperation + +Test DONE multi 9.22710131e-14 + +Test adding random functions out of place + test 0 + test_math : 562 : err1 : 1.52e-09 < 1.00e-08 : OK + test_math : 563 : err2 : 8.05e-10 < 1.00e-08 : OK + test_math : 564 : err3 : 1.72e-09 < 1.00e-08 : OK + test 1 + test_math : 562 : err1 : 2.09e-09 < 1.00e-08 : OK + test_math : 563 : err2 : 2.69e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 3.42e-09 < 1.00e-08 : OK + test 2 + test_math : 562 : err1 : 3.85e-09 < 1.00e-08 : OK + test_math : 563 : err2 : 1.57e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 4.16e-09 < 1.00e-08 : OK + test 3 + test_math : 562 : err1 : 7.56e-10 < 1.00e-08 : OK + test_math : 563 : err2 : 8.78e-10 < 1.00e-08 : OK + test_math : 564 : err3 : 1.16e-09 < 1.00e-08 : OK + test 4 + test_math : 562 : err1 : 3.81e-09 < 1.00e-08 : OK + test_math : 563 : err2 : 4.32e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 5.78e-09 < 1.00e-08 : OK + test 5 + test_math : 562 : err1 : 4.06e-09 < 1.00e-08 : OK + test_math : 563 : err2 : 1.19e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 4.23e-09 < 1.00e-08 : OK + test 6 + test_math : 562 : err1 : 2.21e-09 < 1.00e-08 : OK + test_math : 563 : err2 : 1.34e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 2.59e-09 < 1.00e-08 : OK + test 7 + test_math : 562 : err1 : 8.46e-10 < 1.00e-08 : OK + test_math : 563 : err2 : 3.07e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 3.18e-09 < 1.00e-08 : OK + test 8 + test_math : 562 : err1 : 3.85e-09 < 1.00e-08 : OK + test_math : 563 : err2 : 2.36e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 4.52e-09 < 1.00e-08 : OK + test 9 + test_math : 562 : err1 : 9.23e-10 < 1.00e-08 : OK + test_math : 563 : err2 : 2.71e-09 < 1.00e-08 : OK + test_math : 564 : err3 : 2.87e-09 < 1.00e-08 : OK + +Test adding random functions in place + test 0 + test_math : 581 : err1 : 3.93e-09 < 1.00e-08 : OK + test_math : 582 : err2 : 2.17e-09 < 1.00e-08 : OK + test 1 + test_math : 581 : err1 : 5.56e-09 < 1.00e-08 : OK + test_math : 582 : err2 : 4.67e-09 < 1.00e-08 : OK + test 2 + test_math : 581 : err1 : 6.24e-09 < 1.00e-08 : OK + test_math : 582 : err2 : 4.21e-09 < 1.00e-08 : OK + test 3 + test_math : 581 : err1 : 4.66e-09 < 1.00e-08 : OK + test_math : 582 : err2 : 4.30e-09 < 1.00e-08 : OK + test 4 + test_math : 581 : err1 : 4.75e-09 < 1.00e-08 : OK + test_math : 582 : err2 : 3.79e-09 < 1.00e-08 : OK +true + +Test differentiation - type = double , ndim = 3 +note that differentiation does not preserve the accuracy +in this particular case the threshold in loosened by a factor of 40 + +timer: project 0.09s 0.09s +timer: compress 0.04s 0.04s +timer: truncate 0.02s 0.02s +timer: reconstruct 0.04s 0.04s +doing axis 0 +timer: diff 0.05s 0.05s +timer: err 0.03s 0.03s + test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK + error 1.04688288e-08 +doing axis 1 +timer: diff 0.03s 0.03s +timer: err 0.05s 0.05s + test_diff : 660 : err in test_diff : 1.05e-08 < 1.10e-08 : OK + error 1.04688290e-08 +doing axis 2 +timer: diff 0.04s 0.04s +timer: err 0.02s 0.02s + 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 0.10s 0.10s + f norm is 1.00000000e+00 + f total error 5.40466946e-10 +timer: apply 0.30s 0.30s + numeric at origin 6.17761821e-01 +analytic at origin 6.17761821e-01 + op*f norm is 1.65560026e-01 + op*f total error 9.87258981e-09 + test_op : 767 : err in test_op : 9.87e-09 < 3.00e-08 : OK + +Test Coulomb operator - type = double , ndim = 3 (only) + +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 0.06s 0.06s + +before operator + +timer: apply 3.02s 3.02s +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 + op*f total error 1.21353196e-07 + test_coulomb : 901 : err in test_coulomb : 1.21e-07 < 1.00e-06 : OK + +Test plot cube - type = double , ndim = 3 + + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 6.88e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.43e-27 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 7.80e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.80e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 8.49e-29 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.52e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.13e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.35e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.03e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.52e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.64e-30 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 5.14e-29 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.88e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.32e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.91e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.01e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.32e-28 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.42e-27 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.81e-26 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.44e-26 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.95e-25 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.47e-24 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.15e-23 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.90e-23 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.90e-22 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 8.73e-12 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.69e-21 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.89e-21 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.25e-20 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.07e-19 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.31e-19 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.78e-19 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.79e-18 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 7.57e-18 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.99e-17 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.99e-17 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.19e-16 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.75e-16 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 6.08e-16 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.28e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.61e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 5.07e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.44e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.68e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.87e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.69e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 7.33e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.09e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.55e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.10e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.70e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.30e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.80e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.10e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.13e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.76e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.00e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.89e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.95e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.01e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.47e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.70e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.61e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 5.10e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 5.17e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.90e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.36e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.67e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.93e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.23e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.62e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.12e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 7.41e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.69e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.84e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.65e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.20e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.91e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.52e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.24e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 5.85e-16 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.65e-16 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.15e-16 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.82e-17 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.94e-17 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 7.45e-18 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.76e-18 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.28e-19 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.37e-19 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.11e-19 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.50e-20 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.07e-20 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.11e-21 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 8.74e-22 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.36e-22 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 6.12e-23 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.52e-23 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.73e-24 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.54e-25 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.26e-26 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.33e-24 < 2.00e-07 : OK +evaluation of cube/slice for plotting OK true + +Test IO - type = double , ndim = 3 + +err = 0.00000000e+00 + test_io : 1223 : test_io : 0.00e+00 < 1.00e-12 : OK +test_io OK -MadnessException : +Test plot cube - type = double , ndim = 4 -msg=à"ÿ : - value=1 : line=1462 : function=await : filename='./src/madness/world/thread.h' + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.66e-30 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.29e-32 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 8.66e-32 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.71e-32 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.75e-29 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 8.43e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.29e-21 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.81e-18 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.62e-16 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.79e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.06e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.17e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 2.89e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 4.39e-13 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 8.05e-14 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.33e-15 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 3.47e-17 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.21e-20 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 1.26e-22 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 6.13e-22 < 2.00e-07 : OK + test_plot : 1161 : eval_local_only : 0.00e+00 < 1.00e-12 : OK + test_plot : 1165 : plot-eval : 9.64e-21 < 2.00e-07 : OK +evaluation of cube/slice for plotting OK true +entering final fence +done with final fence + +Final tensor instance count 0 + + Parallel environment + -------------------- + #nodes 1 + #threads per node 127+main = 128 + #total threads 128 + + RMI message statistics (min / avg / max) + ---------------------- + #messages in server q 0.00e+00 / 0.00e+00 / 0.00e+00 + #messages sent per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #bytes sent per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #messages recv per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #bytes recv per node 0.00e+00 / 0.00e+00 / 0.00e+00 + #msgs systemwide 0.00e+00 + #bytes systemwide 0.00e+00 + + Thread pool statistics (min / avg / max) + ---------------------- + #tasks per node 2.92e+06 / 2.92e+06 / 2.92e+06 + #max q len per node 1.38e+04 / 1.38e+04 / 1.38e+04 + #hi-pri tasks per node 3.28e+05 / 3.28e+05 / 3.28e+05 + + Total wall time 79.2s + Total cpu time 79.2s + +testsuite passed: true -MADNESS: fatal error: caught a MADNESS exception -Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 test 48 Start 48: mra_sepop-testper @@ -9115,7 +10774,7 @@ 48: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra/testper 48: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/madness/mra 48: Test timeout computed to be: 1500 -48: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +48: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 48: [*] 56.41895835 48: [*] 10000.00000000 48: @@ -9220,7 +10879,7 @@ 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 2.21 sec +48/56 Test #48: mra_sepop-testper ....................... Passed 2.16 sec test 49 Start 49: build_chem_unittests @@ -9633,14 +11292,14 @@ 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 293.85 sec +49/56 Test #49: build_chem_unittests .................... Passed 205.69 sec test 50 Start 50: chem-test_SCFOperators 50: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/test_SCFOperators 50: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem 50: Test timeout computed to be: 1500 -50: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +50: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 50: small test : false 50: entering test_kinetic with dimension, type 1 d 50: 8.862269e-01 8.862272e-01 2.835025e-07 @@ -9657,27 +11316,27 @@ 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 0.000000e+00 +50: a/symmetric algorithm error 2.775558e-17 50: entering test_kinetic with dimension, type 2 d 50: 1.570796e+00 1.570797e+00 9.306384e-07 -50: : -4.638147e-07 -50: ff.norm2(), abs(ff.norms()) 1.918737e-01 1.918737e-01 1.918737e-01 +50: : 9.008652e-17 +50: ff.norm2(), abs(ff.norms()) 1.107783e-01 1.107783e-01 1.107783e-01 50: hermiticity error/translational invariance 50: abs err op(ij).normf() 50: 0.000000e+00 1.756205e+00 50: 0.000000e+00 1.756209e+00 50: 0.000000e+00 1.756209e+00 -50: 0.000000e+00 1.572525e+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 7.854416e-01 +50: 0.000000e+00 7.855427e-01 50: 0.000000e+00 7.855455e-01 -50: 0.000000e+00 7.879491e-01 -50: a/symmetric algorithm error 1.110223e-16 +50: 0.000000e+00 7.854454e-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: : 8.700181e-02 -50: ff.norm2(), abs(ff.norms()) 1.806292e-01 1.806292e-01 1.806292e-01 +50: : -1.457311e-17 +50: ff.norm2(), abs(ff.norms()) 1.042862e-01 1.042862e-01 1.042862e-01 50: hermiticity error/translational invariance 50: abs err op(ij).normf() 50: 0.000000e+00 2.423686e+00 @@ -9686,10 +11345,10 @@ 50: 0.000000e+00 2.954033e+00 50: 0.000000e+00 2.975555e+00 50: 0.000000e+00 2.954034e+00 -50: 0.000000e+00 1.230469e+00 +50: 0.000000e+00 1.230446e+00 50: 0.000000e+00 1.230541e+00 50: 0.000000e+00 1.230545e+00 -50: a/symmetric algorithm error 2.220446e-16 +50: a/symmetric algorithm error 3.330669e-16 50: 50: entering test_coulomb 50: thresh 1.000000e-05 @@ -9699,28 +11358,602 @@ 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: 3.679904e-18 2.822515e+00 -50: 1.506042e-12 2.396730e+00 -50: 8.014586e-12 1.661708e+00 -50: 2.546705e-18 6.233835e+00 -50: 2.146611e-17 5.372221e+00 -50: 4.091290e-11 3.832495e+00 -50: 1.703393e-18 1.335820e+00 -50: 1.573389e-14 1.204648e+00 -50: 2.828460e-12 9.170411e-01 +50: 6.390000e-17 2.822515e+00 +50: 1.505895e-12 2.396730e+00 +50: 8.014439e-12 1.661708e+00 +50: 7.623343e-18 6.233835e+00 +50: 1.165303e-17 5.372221e+00 +50: 5.174430e-11 3.801220e+00 +50: 1.984297e-18 1.335820e+00 +50: 4.987677e-14 1.204643e+00 +50: 5.794197e-12 9.171150e-01 50: a/symmetric algorithm error 1.655203e-08 50: 50: entering test_exchange 1.000000e-05 d -50: !!MADNESS: Hung queue? -50: !!MADNESS: Hung queue? -50: !!MADNESS: Hung queue? -50: !!MADNESS: Hung queue? -50: !!MADNESS: Hung queue? -50: !!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 19 pending task(s) -50: terminate called after throwing an instance of 'madness::MadnessException' -50: what(): ThreadPool::await() timed out after 900.0 seconds -50/56 Test #50: chem-test_SCFOperators ..................Subprocess aborted***Exception: 28.03 sec -MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +50: diffnorm in K [1.140848e-05, 6.275196e-06] +50: diff in Kmat compared to reference potential 1.884141e-07 +50: diff in Kmat compared to hardwired result 1.884059e-07 +50: hermiticity error/translational invariance +50: abs err op(ij).normf() +50: 1.834479e-17 2.370968e+00 +50: 6.986478e-10 1.192815e+00 +50: 1.427671e-10 2.093508e-01 +50: 5.312622e-18 5.960391e+00 +50: 1.118061e-09 3.269762e+00 +50: 1.867422e-10 5.588951e-01 +50: 3.488841e-20 2.263074e-01 +50: 2.597657e-10 3.040594e-01 +50: 1.028689e-10 1.374549e-01 +50: a/symmetric algorithm error 2.777177e-10 +50: +50: entering test_XCOperator 1.000000e-06 +50: xc functional lda 1.000000e-06 +50: energy -1.435302e+00 +50: potential -1.884266e+00 +50: potential -1.884266e+00 +50: ratio -1.435302e+00 -1.413199e+00 +50: kernel -5.937228e-01 +50: ratio -1.435302e+00 -1.335876e+00 +50: energy -1.435302e+00 +50: potential -1.884266e+00 +50: potential -1.884266e+00 +50: ratio -1.435302e+00 -1.413199e+00 +50: energy -1.435302e+00 +50: potential -1.884266e+00 +50: potential -1.884266e+00 +50: ratio -1.435302e+00 -1.413199e+00 +50: +50: +50: xc functional LDA_X 1.000000e-06 +50: energy -1.295368e+00 +50: potential -1.727158e+00 +50: potential -1.727158e+00 +50: ratio -1.295368e+00 -1.295368e+00 +50: kernel -5.757192e-01 +50: ratio -1.295368e+00 -1.295368e+00 +50: energy -1.295368e+00 +50: potential -1.727158e+00 +50: potential -1.727158e+00 +50: ratio -1.295368e+00 -1.295368e+00 +50: energy -1.295368e+00 +50: potential -1.727158e+00 +50: potential -1.727158e+00 +50: ratio -1.295368e+00 -1.295368e+00 +50: +50: +50: xc functional pbe 1.000000e-06 +50: energy -1.515767e+00 +50: potential -1.954087e+00 +50: potential -1.954087e+00 +50: ratio -1.515767e+00 -1.465566e+00 +50: kernel -5.796947e-01 +50: ratio -1.515767e+00 -1.304313e+00 +50: energy -1.515767e+00 +50: potential -1.954087e+00 +50: potential -1.954087e+00 +50: ratio -1.515767e+00 -1.465566e+00 +50: energy -1.515767e+00 +50: potential -1.954087e+00 +50: potential -1.954087e+00 +50: ratio -1.515767e+00 -1.465566e+00 +50: +50: +50: xc functional bp 2.000000e-06 +50: energy -1.541359e+00 +50: potential -1.972863e+00 +50: potential -1.972864e+00 +50: ratio -1.541359e+00 -1.479647e+00 +50: kernel -5.764549e-01 +50: ratio -1.541359e+00 -1.297024e+00 +50: energy -1.541359e+00 +50: potential -1.972863e+00 +50: potential -1.972864e+00 +50: ratio -1.541359e+00 -1.479647e+00 +50: energy -1.541359e+00 +50: potential -1.972863e+00 +50: potential -1.972864e+00 +50: ratio -1.541359e+00 -1.479647e+00 +50: +50: +50: +50: entering test_nuclear 1.000000e-05 +50: ignoring unknown parameter in input file: ncf +50: +50: Construct XC Functional from LIBXC Library +50: +50: input line was: hf +50: 1.000 HF exchange +50: +50: screening parameters +50: rhotol, rhomin 1.000000e-07 0.000000e+00 +50: ggatol 1.000000e-04 +50: polarized false +50: +50: timer: Project vnuclear 0.44s 0.44s +50: constructed nuclear correlation factor of the form +50: R = 1.000000e+00 +50: with eprec 1.000000e-06 +50: which means it's (nearly) a conventional calculation +50: +50: V,Vref -2.465298e+00 -2.465298e+00 2.173071e-10 +50: +50: constructed nuclear correlation factor of the form +50: S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 +50: a = 2.000000e+00 +50: with eprec 1.000000e-06 +50: which is of Slater type +50: +50: T1,V1,T2,V2,err 2.241214e+00 -2.731071e+00 2.251896e+00 -2.741752e+00 1.956085e-08 +50: V0 -2.741752e+00 +50: +50: entering test_dnuclear 1.000000e-05 +50: ignoring unknown parameter in input file: ncf +50: +50: Construct XC Functional from LIBXC Library +50: +50: input line was: hf +50: 1.000 HF exchange +50: +50: screening parameters +50: rhotol, rhomin 1.000000e-07 0.000000e+00 +50: ggatol 1.000000e-04 +50: polarized false +50: +50: timer: Project vnuclear 0.46s 0.46s +50: constructed nuclear correlation factor of the form +50: R = 1.000000e+00 +50: with eprec 1.000000e-05 +50: which means it's (nearly) a conventional calculation +50: +50: V,Vref -8.780535e+00 -8.780585e+00 5.029303e-05 +50: V,Vref -2.926845e+00 -2.926847e+00 2.096326e-06 +50: V,Vref 2.926847e+00 2.926871e+00 2.380563e-05 +50: +50: constructed nuclear correlation factor of the form +50: S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 +50: a = 2.000000e+00 +50: with eprec 1.000000e-05 +50: which is of Slater type +50: +50: u2,u2ref -2.375810e+01 -2.375810e+01 6.745410e-09 +50: u3,u3ref -5.782054e-04 -5.781745e-04 3.081496e-08 +50: +50: u1x,u1xref, u1axis= 0 2.333449e-03 2.332607e-03 8.422544e-07 +50: u1x,u1xref, u1axis= 1 2.860310e-03 2.860180e-03 1.299888e-07 +50: u1x,u1xref, u1axis= 2 -2.860240e-03 -2.860243e-03 2.294149e-09 +50: u1x,u1xref, u1axis= 0 2.860310e-03 2.860180e-03 1.299888e-07 +50: u1x,u1xref, u1axis= 1 -5.293992e-03 -5.294734e-03 7.417541e-07 +50: u1x,u1xref, u1axis= 2 -9.534351e-04 -9.534186e-04 1.647874e-08 +50: u1x,u1xref, u1axis= 0 -2.860240e-03 -2.860243e-03 2.294149e-09 +50: u1x,u1xref, u1axis= 1 -9.534351e-04 -9.534186e-04 1.647874e-08 +50: u1x,u1xref, u1axis= 2 -5.294109e-03 -5.294724e-03 6.145635e-07 +50: +50: u2x,u2xref, daxis= 0 -1.373723e+01 -1.373724e+01 7.858046e-06 +50: u2x,u2xref, daxis= 1 -4.579076e+00 -4.579101e+00 2.514610e-05 +50: u2x,u2xref, daxis= 2 4.579076e+00 4.579083e+00 6.886269e-06 +50: u2x,u2xref, daxis= 0 8.528621e-01 8.528620e-01 4.701742e-08 +50: u2x,u2xref, daxis= 1 -2.312786e-01 -2.312846e-01 6.014367e-06 +50: u2x,u2xref, daxis= 2 -8.881784e-16 0.000000e+00 8.881784e-16 +50: +50: u3x,u3xref, daxis= 0 -1.241265e-03 -1.241050e-03 2.144408e-07 +50: u3x,u3xref, daxis= 1 -3.208367e-04 -3.208126e-04 2.406897e-08 +50: u3x,u3xref, daxis= 2 3.615564e-04 3.624837e-04 9.273553e-07 +50: u3x,u3xref, daxis= 0 7.673569e-04 7.673041e-04 5.272881e-08 +50: u3x,u3xref, daxis= 1 -1.325288e-04 -1.325269e-04 1.931967e-09 +50: u3x,u3xref, daxis= 2 -4.167050e-05 -4.166158e-05 8.918257e-09 +50: +50: entering test_nemo 1.000000e-05 +50: ignoring unknown parameter in input file: ncf +50: +50: Construct XC Functional from LIBXC Library +50: +50: input line was: hf +50: 1.000 HF exchange +50: +50: screening parameters +50: rhotol, rhomin 1.000000e-07 0.000000e+00 +50: ggatol 1.000000e-04 +50: polarized false +50: +50: +50: Asymptotic correction parameters +50: --------------------------------------- +50: Atom vector is not empty: false +50: Using multipole approximation: false +50: Number of electrons = -1 +50: Ionisation energy = 0.000000e+00 +50: E(HOMO) = 0.000000e+00 +50: R1 = 3.000000e+00 +50: R2 = 4.000000e+00 +50: DFT coefficient = 0.000000e+00 +50: Interpolation scheme = linear +50: constructed symmetry operator for point group C1 +50: dft +50: charge 0.0000e+00 # default total molecular charge +50: xc hf # defined XC input line +50: smear 0.0000e+00 # default smearing parameter +50: econv 1.0000e-05 # default energy convergence +50: dconv 1.0000e-04 # default density convergence +50: converge_each_energy false # default converge all fock operator components +50: k 8 # defined polynomial order +50: l 5.1438e+01 # derived user coordinates box size +50: deriv abgv # default derivative method [abgv, bspline, ble] +50: dft_deriv abgv # default derivative method for gga potentials [abgv, bspline, ble] +50: maxrotn 2.5000e-01 # default step restriction used in autoshift algorithm +50: nvalpha 0 # default number of alpha virtuals to compute +50: nvbeta 0 # default number of beta virtuals to compute +50: nopen 0 # default number of unpaired electrons = nalpha-nbeta +50: maxiter 25 # default maximum number of iterations +50: nio 1 # default no. of io servers to use +50: spin_restricted true # default true if spin restricted +50: plotlo 0 # default range of MOs to print (for both spins if polarized +50: plothi -1 # default range of MOs to print (for both spins if polarized +50: plotdens false # default If true print the density at convergence +50: plotcoul false # default If true plot the total coulomb potential at convergence +50: localize new # default localization method [pm, boys, new, canon] +50: pointgroup c1 # derived use point (sub) group symmetry if not localized[c1, c2, ci, cs, c2v, c2h, d2, d2h] +50: restart false # default if true restart from orbitals on disk +50: restartao false # default if true restart from orbitals projected into AO basis (STO3G) on disk +50: no_compute false # default if true use orbitals on disk, set value to computed +50: no_orient true # defined if true the molecule coordinates will not be reoriented +50: save true # default if true save orbitals to disk +50: maxsub 5 # default size of iterative subspace ... set to 0 or 1 to disable +50: orbitalshift 0.0000e+00 # default scf orbital shift: shift the occ orbitals to lower energies +50: npt_plot 101 # default no. of points to use in each dim for plots +50: plot_cell [] # default lo hi in each dimension for plotting (default is all space) +50: aobasis 6-31g # derived AO basis used for initial guess (6-31g or sto-3g) +50: core_type none # default core potential type [none, mpc] +50: derivatives false # default if true calculate nuclear derivatives +50: dipole false # default if true calculate dipole moment +50: conv_only_dens false # default if true remove bsh_residual from convergence criteria +50: psp_calc false # default pseudopotential calculation for all atoms +50: print_dipole_matels false # default if true output dipole matrix elements +50: pcm_data none # default do a PCM (solvent) calculation +50: ac_data none # default do a calculation with asymptotic correction (see ACParameters class in chem/AC.h for details) +50: pure_ae true # default pure all electron calculation with no pseudo-atoms +50: print_level 3 # default 0: no output; 1: final energy; 2: iterations; 3: timings; 10: debug +50: nalpha 2 # derived number of alpha spin electrons +50: nbeta 2 # derived number of beta spin electrons +50: nmo_alpha 2 # derived number of alpha spin molecular orbitals +50: nmo_beta 2 # derived number of beta spin molecular orbitals +50: lo 1.4683e-03 # derived smallest length scale we need to resolve +50: protocol [1.0000e-05] # defined calculation protocol +50: gopt false # default geometry optimizer +50: gtol 1.0000e-04 # default geometry tolerance +50: gtest false # default geometry tolerance +50: gval 1.0000e-05 # default value precision +50: gprec 1.0000e-04 # default gradient precision +50: gmaxiter 20 # default optimization maxiter +50: ginitial_hessian false # default compute inital hessian for optimization +50: algopt bfgs # default algorithm used for optimization [bfgs, cg] +50: tdksprop false # default time-dependent Kohn-Sham equation propagate +50: nv_factor 1 # default factor to multiply number of virtual orbitals with when automatically decreasing nvirt +50: vnucextra 2 # default load balance parameter for nuclear pot +50: loadbalparts 2 # default ?? +50: response false # default response function calculation +50: response_freq 0.0000e+00 # default frequency for calculation response function +50: response_axis [1, 1, 1] # default response axis +50: nonrotate false # default if true do not molcule orient (redundant with no_orient +50: rconv 1.0000e-06 # default Response convergence +50: efield 0.0000e+00 # default eps for finite field +50: efield_axis 0 # default finite field axis [0, 1, 2] +50: ncf (slater,2.0000e+00) # defined nuclear correlation factor +50: hessian false # default compute the hessian matrix +50: read_cphf false # default read the converged orbital response for nuclear displacements from file +50: restart_cphf false # default read the guess orbital response for nuclear displacements from file +50: purify_hessian false # default symmetrize the hessian matrix based on atomic charges +50: +50: end +50: +50: +50: geometry +50: eprec 1.0e-06 +50: units atomic +50: Li 0.00000000 0.00000000 0.00000000 +50: H 1.43750000 0.00000000 0.00000000 +50: end +50: +50: Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 +50: +50: timer: Project vnuclear 0.29s 0.29s +50: +50: constructed nuclear correlation factor of the form +50: S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 +50: a = 2.000000e+00 +50: with eprec 1.000000e-06 +50: which is of Slater type +50: +50: timer: reproject ncf 0.83s 0.83s +50: timer: guess density 0.16s 0.16s +50: timer: guess Coulomb potn 1.06s 1.06s +50: timer: guess lda potn 0.17s 0.17s +50: timer: guess overlap 0.04s 0.04s +50: timer: KEmat reconstruct 0.03s 0.03s +50: timer: KEmat differentiate 0.24s 0.24s +50: timer: KEmat compress 0.14s 0.14s +50: timer: KEmat inner products 0.12s 0.12s +50: timer: guess Kinet potn 0.55s 0.55s +50: timer: guess fock 0.49s 0.49s +50: timer: guess eigen sol 0.00s 0.00s +50: timer: guess orbital groupi 0.07s 0.07s +50: +50: starting protocol at time 102.9s +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 102.9s +50: +50: Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 +50: +50: timer: Boys localize 0.65s 0.65s +50: orbital irreps [] +50: saving vector of functions nemo_it0 +50: timer: reconstruct psi 0.08s 0.08s +50: timer: compute Jnemo 1.30s 1.30s +50: timer: compute Knemo 2.46s 2.46s +50: timer: compute Unemo 0.0084 1.05s 1.05s +50: +50: nuclear and kinetic -14.08868330 +50: coulomb 6.69224417 +50: exchange -2.33242117 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.64190377 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 1.03s 1.03s +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 0.08s 0.08s +50: timer: transform Vpsi 0.01s 0.01s +50: timer: apply BSH 0.90s 0.90s +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 112.2s with energy -7.64190377 +50: current residual norm 1.181509e-01 +50: +50: timer: Boys localize 0.79s 0.79s +50: orbital irreps [] +50: saving vector of functions nemo_it1 +50: timer: reconstruct psi 0.10s 0.10s +50: timer: compute Jnemo 1.24s 1.24s +50: timer: compute Knemo 3.00s 3.00s +50: timer: compute Unemo 0.0066 1.26s 1.26s +50: +50: nuclear and kinetic -13.98180598 +50: coulomb 6.46498280 +50: exchange -2.26747280 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.69733945 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 0.95s 0.95s +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 0.06s 0.06s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 0.90s 0.90s +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 122.6s with energy -7.69733945 +50: current residual norm 2.380522e-02 +50: +50: timer: Boys localize 0.83s 0.83s +50: orbital irreps [] +50: saving vector of functions nemo_it2 +50: timer: reconstruct psi 0.12s 0.12s +50: timer: compute Jnemo 1.36s 1.36s +50: timer: compute Knemo 2.50s 2.50s +50: timer: compute Unemo 0.0065 1.26s 1.26s +50: +50: nuclear and kinetic -13.97656549 +50: coulomb 6.44435091 +50: exchange -2.25778409 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.70304214 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 0.98s 0.98s +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 0.11s 0.11s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 0.92s 0.92s +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 133.0s with energy -7.70304214 +50: current residual norm 9.503438e-03 +50: +50: timer: Boys localize 0.84s 0.84s +50: orbital irreps [] +50: saving vector of functions nemo_it3 +50: timer: reconstruct psi 0.11s 0.11s +50: timer: compute Jnemo 1.23s 1.23s +50: timer: compute Knemo 2.85s 2.85s +50: timer: compute Unemo 0.0065 1.04s 1.04s +50: +50: nuclear and kinetic -13.96360872 +50: coulomb 6.42197921 +50: exchange -2.24904533 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.70371832 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 1.01s 1.01s +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 0.06s 0.06s +50: timer: transform Vpsi 0.01s 0.01s +50: timer: apply BSH 0.82s 0.82s +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 143.2s with energy -7.70371832 +50: current residual norm 2.315478e-03 +50: +50: timer: Boys localize 0.86s 0.86s +50: orbital irreps [] +50: saving vector of functions nemo_it4 +50: timer: reconstruct psi 0.09s 0.09s +50: timer: compute Jnemo 1.22s 1.22s +50: timer: compute Knemo 2.60s 2.60s +50: timer: compute Unemo 0.0066 1.12s 1.12s +50: +50: nuclear and kinetic -13.96316434 +50: coulomb 6.42107659 +50: exchange -2.24862541 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.70375663 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 0.93s 0.93s +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 0.08s 0.08s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 0.83s 0.83s +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 153.7s with energy -7.70375663 +50: current residual norm 1.061793e-03 +50: +50: timer: Boys localize 0.87s 0.87s +50: orbital irreps [] +50: saving vector of functions nemo_it5 +50: timer: reconstruct psi 0.13s 0.13s +50: timer: compute Jnemo 1.35s 1.35s +50: timer: compute Knemo 2.64s 2.64s +50: timer: compute Unemo 0.0066 0.98s 0.98s +50: +50: nuclear and kinetic -13.96269793 +50: coulomb 6.42039679 +50: exchange -2.24841749 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.70376211 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 1.05s 1.05s +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 0.06s 0.06s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 0.90s 0.90s +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 164.0s with energy -7.70376211 +50: current residual norm 4.787442e-04 +50: +50: +50: Iterations converged +50: +50: protocol: thresh 1.000000e-05 econv 1.000000e-05 dconv 1.000000e-04 +50: +50: ending protocol at time 164.0s +50: +50: Solving NDIM= 3 with thresh 1.000000e-05 k 8 conv 1.000000e-04 +50: +50: timer: Project vnuclear 0.42s 0.42s +50: timer: reproject ncf 1.19s 1.19s +50: timer: Boys localize 1.16s 1.16s +50: orbital irreps [] +50: saving vector of functions nemo_it0 +50: timer: reconstruct psi 0.13s 0.13s +50: timer: compute Jnemo 1.92s 1.92s +50: timer: compute Knemo 3.63s 3.63s +50: timer: compute Unemo 0.0083 1.21s 1.21s +50: +50: nuclear and kinetic -13.96262876 +50: coulomb 6.42051954 +50: exchange -2.24861513 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.70376783 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 0.93s 0.93s +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 0.08s 0.08s +50: timer: transform Vpsi 0.02s 0.02s +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 178.9s with energy -7.70376783 +50: current residual norm 2.822050e-04 +50: +50: timer: Boys localize 0.81s 0.81s +50: orbital irreps [] +50: saving vector of functions nemo_it1 +50: timer: reconstruct psi 0.15s 0.15s +50: timer: compute Jnemo 1.78s 1.78s +50: timer: compute Knemo 3.39s 3.39s +50: timer: compute Unemo 0.0083 1.14s 1.14s +50: +50: nuclear and kinetic -13.96248412 +50: coulomb 6.42019093 +50: exchange -2.24849861 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.70383527 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 1.02s 1.02s +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 0.08s 0.08s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 1.22s 1.22s +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 190.7s with energy -7.70383527 +50: current residual norm 1.288193e-04 +50: +50: timer: Boys localize 1.00s 1.00s +50: orbital irreps [] +50: saving vector of functions nemo_it2 +50: timer: reconstruct psi 0.13s 0.13s +50: timer: compute Jnemo 1.72s 1.72s +50: timer: compute Knemo 3.79s 3.79s +50: timer: compute Unemo 0.0083 0.95s 0.95s +50: +50: nuclear and kinetic -13.96240443 +50: coulomb 6.42007371 +50: exchange -2.24846138 +50: nuclear-repulsion 2.08695652 +50: regularized energy -7.70383558 +50: buggy if hybrid functionals are used.. +50: timer: compute energy 1.19s 1.19s +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 0.07s 0.07s +50: timer: transform Vpsi 0.02s 0.02s +50: timer: apply BSH 1.17s 1.17s +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 203.1s with energy -7.70383558 +50: current residual norm 7.087364e-05 +50: +50: +50: Iterations converged +50: +50: +50: ending protocol at time 203.1s +50: +50: Dipole Moment (a.u.) +50: ----------- +50: +50: x: -1.916948e+00 +50: y: 3.814946e-13 +50: z: 3.461261e-13 +50: Total Dipole Moment: 1.916948e+00 +50: +50: timer: dipole 0.06s 0.06s +50: Nemo Orbital Energies: [*] -2.46579798 -0.34379191 +50: +50: energy(LiH) -7.703836e+00 +50: +50: tests passed +50: +50: MADNESS runtime finalized but 1 world still exists +50/56 Test #50: chem-test_SCFOperators ..................***Timeout 1500.12 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 8.862269e-01 8.862272e-01 2.835025e-07 @@ -9737,27 +11970,27 @@ 0.000000e+00 4.725086e-01 0.000000e+00 4.725100e-01 0.000000e+00 4.725094e-01 -a/symmetric algorithm error 0.000000e+00 +a/symmetric algorithm error 2.775558e-17 entering test_kinetic with dimension, type 2 d 1.570796e+00 1.570797e+00 9.306384e-07 - : -4.638147e-07 -ff.norm2(), abs(ff.norms()) 1.918737e-01 1.918737e-01 1.918737e-01 + : 9.008652e-17 +ff.norm2(), abs(ff.norms()) 1.107783e-01 1.107783e-01 1.107783e-01 hermiticity error/translational invariance abs err op(ij).normf() 0.000000e+00 1.756205e+00 0.000000e+00 1.756209e+00 0.000000e+00 1.756209e+00 -0.000000e+00 1.572525e+00 +0.000000e+00 1.584156e+00 0.000000e+00 1.584155e+00 0.000000e+00 1.584156e+00 -0.000000e+00 7.854416e-01 +0.000000e+00 7.855427e-01 0.000000e+00 7.855455e-01 -0.000000e+00 7.879491e-01 -a/symmetric algorithm error 1.110223e-16 +0.000000e+00 7.854454e-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 - : 8.700181e-02 -ff.norm2(), abs(ff.norms()) 1.806292e-01 1.806292e-01 1.806292e-01 + : -1.457311e-17 +ff.norm2(), abs(ff.norms()) 1.042862e-01 1.042862e-01 1.042862e-01 hermiticity error/translational invariance abs err op(ij).normf() 0.000000e+00 2.423686e+00 @@ -9766,10 +11999,10 @@ 0.000000e+00 2.954033e+00 0.000000e+00 2.975555e+00 0.000000e+00 2.954034e+00 -0.000000e+00 1.230469e+00 +0.000000e+00 1.230446e+00 0.000000e+00 1.230541e+00 0.000000e+00 1.230545e+00 -a/symmetric algorithm error 2.220446e-16 +a/symmetric algorithm error 3.330669e-16 entering test_coulomb thresh 1.000000e-05 @@ -9779,26 +12012,600 @@ element, refelement, error 1.419488e+00 1.419487e+00 1.237576e-07 hermiticity error/translational invariance abs err op(ij).normf() -3.679904e-18 2.822515e+00 -1.506042e-12 2.396730e+00 -8.014586e-12 1.661708e+00 -2.546705e-18 6.233835e+00 -2.146611e-17 5.372221e+00 -4.091290e-11 3.832495e+00 -1.703393e-18 1.335820e+00 -1.573389e-14 1.204648e+00 -2.828460e-12 9.170411e-01 +6.390000e-17 2.822515e+00 +1.505895e-12 2.396730e+00 +8.014439e-12 1.661708e+00 +7.623343e-18 6.233835e+00 +1.165303e-17 5.372221e+00 +5.174430e-11 3.801220e+00 +1.984297e-18 1.335820e+00 +4.987677e-14 1.204643e+00 +5.794197e-12 9.171150e-01 a/symmetric algorithm error 1.655203e-08 entering test_exchange 1.000000e-05 d -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 19 pending task(s) -terminate called after throwing an instance of 'madness::MadnessException' - what(): ThreadPool::await() timed out after 900.0 seconds +diffnorm in K [1.140848e-05, 6.275196e-06] +diff in Kmat compared to reference potential 1.884141e-07 +diff in Kmat compared to hardwired result 1.884059e-07 +hermiticity error/translational invariance +abs err op(ij).normf() +1.834479e-17 2.370968e+00 +6.986478e-10 1.192815e+00 +1.427671e-10 2.093508e-01 +5.312622e-18 5.960391e+00 +1.118061e-09 3.269762e+00 +1.867422e-10 5.588951e-01 +3.488841e-20 2.263074e-01 +2.597657e-10 3.040594e-01 +1.028689e-10 1.374549e-01 +a/symmetric algorithm error 2.777177e-10 + +entering test_XCOperator 1.000000e-06 +xc functional lda 1.000000e-06 +energy -1.435302e+00 +potential -1.884266e+00 +potential -1.884266e+00 +ratio -1.435302e+00 -1.413199e+00 +kernel -5.937228e-01 +ratio -1.435302e+00 -1.335876e+00 +energy -1.435302e+00 +potential -1.884266e+00 +potential -1.884266e+00 +ratio -1.435302e+00 -1.413199e+00 +energy -1.435302e+00 +potential -1.884266e+00 +potential -1.884266e+00 +ratio -1.435302e+00 -1.413199e+00 + + +xc functional LDA_X 1.000000e-06 +energy -1.295368e+00 +potential -1.727158e+00 +potential -1.727158e+00 +ratio -1.295368e+00 -1.295368e+00 +kernel -5.757192e-01 +ratio -1.295368e+00 -1.295368e+00 +energy -1.295368e+00 +potential -1.727158e+00 +potential -1.727158e+00 +ratio -1.295368e+00 -1.295368e+00 +energy -1.295368e+00 +potential -1.727158e+00 +potential -1.727158e+00 +ratio -1.295368e+00 -1.295368e+00 + + +xc functional pbe 1.000000e-06 +energy -1.515767e+00 +potential -1.954087e+00 +potential -1.954087e+00 +ratio -1.515767e+00 -1.465566e+00 +kernel -5.796947e-01 +ratio -1.515767e+00 -1.304313e+00 +energy -1.515767e+00 +potential -1.954087e+00 +potential -1.954087e+00 +ratio -1.515767e+00 -1.465566e+00 +energy -1.515767e+00 +potential -1.954087e+00 +potential -1.954087e+00 +ratio -1.515767e+00 -1.465566e+00 + + +xc functional bp 2.000000e-06 +energy -1.541359e+00 +potential -1.972863e+00 +potential -1.972864e+00 +ratio -1.541359e+00 -1.479647e+00 +kernel -5.764549e-01 +ratio -1.541359e+00 -1.297024e+00 +energy -1.541359e+00 +potential -1.972863e+00 +potential -1.972864e+00 +ratio -1.541359e+00 -1.479647e+00 +energy -1.541359e+00 +potential -1.972863e+00 +potential -1.972864e+00 +ratio -1.541359e+00 -1.479647e+00 + + + +entering test_nuclear 1.000000e-05 +ignoring unknown parameter in input file: ncf + +Construct XC Functional from LIBXC Library + +input line was: hf + 1.000 HF exchange + +screening parameters + rhotol, rhomin 1.000000e-07 0.000000e+00 + ggatol 1.000000e-04 +polarized false + +timer: Project vnuclear 0.44s 0.44s +constructed nuclear correlation factor of the form + R = 1.000000e+00 +with eprec 1.000000e-06 +which means it's (nearly) a conventional calculation + +V,Vref -2.465298e+00 -2.465298e+00 2.173071e-10 + +constructed nuclear correlation factor of the form + S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 + a = 2.000000e+00 +with eprec 1.000000e-06 +which is of Slater type + +T1,V1,T2,V2,err 2.241214e+00 -2.731071e+00 2.251896e+00 -2.741752e+00 1.956085e-08 +V0 -2.741752e+00 + +entering test_dnuclear 1.000000e-05 +ignoring unknown parameter in input file: ncf + +Construct XC Functional from LIBXC Library + +input line was: hf + 1.000 HF exchange + +screening parameters + rhotol, rhomin 1.000000e-07 0.000000e+00 + ggatol 1.000000e-04 +polarized false + +timer: Project vnuclear 0.46s 0.46s +constructed nuclear correlation factor of the form + R = 1.000000e+00 +with eprec 1.000000e-05 +which means it's (nearly) a conventional calculation + +V,Vref -8.780535e+00 -8.780585e+00 5.029303e-05 +V,Vref -2.926845e+00 -2.926847e+00 2.096326e-06 +V,Vref 2.926847e+00 2.926871e+00 2.380563e-05 + +constructed nuclear correlation factor of the form + S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 + a = 2.000000e+00 +with eprec 1.000000e-05 +which is of Slater type + +u2,u2ref -2.375810e+01 -2.375810e+01 6.745410e-09 +u3,u3ref -5.782054e-04 -5.781745e-04 3.081496e-08 + +u1x,u1xref, u1axis= 0 2.333449e-03 2.332607e-03 8.422544e-07 +u1x,u1xref, u1axis= 1 2.860310e-03 2.860180e-03 1.299888e-07 +u1x,u1xref, u1axis= 2 -2.860240e-03 -2.860243e-03 2.294149e-09 +u1x,u1xref, u1axis= 0 2.860310e-03 2.860180e-03 1.299888e-07 +u1x,u1xref, u1axis= 1 -5.293992e-03 -5.294734e-03 7.417541e-07 +u1x,u1xref, u1axis= 2 -9.534351e-04 -9.534186e-04 1.647874e-08 +u1x,u1xref, u1axis= 0 -2.860240e-03 -2.860243e-03 2.294149e-09 +u1x,u1xref, u1axis= 1 -9.534351e-04 -9.534186e-04 1.647874e-08 +u1x,u1xref, u1axis= 2 -5.294109e-03 -5.294724e-03 6.145635e-07 + +u2x,u2xref, daxis= 0 -1.373723e+01 -1.373724e+01 7.858046e-06 +u2x,u2xref, daxis= 1 -4.579076e+00 -4.579101e+00 2.514610e-05 +u2x,u2xref, daxis= 2 4.579076e+00 4.579083e+00 6.886269e-06 +u2x,u2xref, daxis= 0 8.528621e-01 8.528620e-01 4.701742e-08 +u2x,u2xref, daxis= 1 -2.312786e-01 -2.312846e-01 6.014367e-06 +u2x,u2xref, daxis= 2 -8.881784e-16 0.000000e+00 8.881784e-16 + +u3x,u3xref, daxis= 0 -1.241265e-03 -1.241050e-03 2.144408e-07 +u3x,u3xref, daxis= 1 -3.208367e-04 -3.208126e-04 2.406897e-08 +u3x,u3xref, daxis= 2 3.615564e-04 3.624837e-04 9.273553e-07 +u3x,u3xref, daxis= 0 7.673569e-04 7.673041e-04 5.272881e-08 +u3x,u3xref, daxis= 1 -1.325288e-04 -1.325269e-04 1.931967e-09 +u3x,u3xref, daxis= 2 -4.167050e-05 -4.166158e-05 8.918257e-09 + +entering test_nemo 1.000000e-05 +ignoring unknown parameter in input file: ncf + +Construct XC Functional from LIBXC Library + +input line was: hf + 1.000 HF exchange + +screening parameters + rhotol, rhomin 1.000000e-07 0.000000e+00 + ggatol 1.000000e-04 +polarized false + + +Asymptotic correction parameters +--------------------------------------- +Atom vector is not empty: false +Using multipole approximation: false +Number of electrons = -1 +Ionisation energy = 0.000000e+00 +E(HOMO) = 0.000000e+00 +R1 = 3.000000e+00 +R2 = 4.000000e+00 +DFT coefficient = 0.000000e+00 +Interpolation scheme = linear +constructed symmetry operator for point group C1 +dft + charge 0.0000e+00 # default total molecular charge + xc hf # defined XC input line + smear 0.0000e+00 # default smearing parameter + econv 1.0000e-05 # default energy convergence + dconv 1.0000e-04 # default density convergence +converge_each_energy false # default converge all fock operator components + k 8 # defined polynomial order + l 5.1438e+01 # derived user coordinates box size + deriv abgv # default derivative method [abgv, bspline, ble] + dft_deriv abgv # default derivative method for gga potentials [abgv, bspline, ble] + maxrotn 2.5000e-01 # default step restriction used in autoshift algorithm + nvalpha 0 # default number of alpha virtuals to compute + nvbeta 0 # default number of beta virtuals to compute + nopen 0 # default number of unpaired electrons = nalpha-nbeta + maxiter 25 # default maximum number of iterations + nio 1 # default no. of io servers to use + spin_restricted true # default true if spin restricted + plotlo 0 # default range of MOs to print (for both spins if polarized + plothi -1 # default range of MOs to print (for both spins if polarized + plotdens false # default If true print the density at convergence + plotcoul false # default If true plot the total coulomb potential at convergence + localize new # default localization method [pm, boys, new, canon] + pointgroup c1 # derived use point (sub) group symmetry if not localized[c1, c2, ci, cs, c2v, c2h, d2, d2h] + restart false # default if true restart from orbitals on disk + restartao false # default if true restart from orbitals projected into AO basis (STO3G) on disk + no_compute false # default if true use orbitals on disk, set value to computed + no_orient true # defined if true the molecule coordinates will not be reoriented + save true # default if true save orbitals to disk + maxsub 5 # default size of iterative subspace ... set to 0 or 1 to disable + orbitalshift 0.0000e+00 # default scf orbital shift: shift the occ orbitals to lower energies + npt_plot 101 # default no. of points to use in each dim for plots + plot_cell [] # default lo hi in each dimension for plotting (default is all space) + aobasis 6-31g # derived AO basis used for initial guess (6-31g or sto-3g) + core_type none # default core potential type [none, mpc] + derivatives false # default if true calculate nuclear derivatives + dipole false # default if true calculate dipole moment + conv_only_dens false # default if true remove bsh_residual from convergence criteria + psp_calc false # default pseudopotential calculation for all atoms + print_dipole_matels false # default if true output dipole matrix elements + pcm_data none # default do a PCM (solvent) calculation + ac_data none # default do a calculation with asymptotic correction (see ACParameters class in chem/AC.h for details) + pure_ae true # default pure all electron calculation with no pseudo-atoms + print_level 3 # default 0: no output; 1: final energy; 2: iterations; 3: timings; 10: debug + nalpha 2 # derived number of alpha spin electrons + nbeta 2 # derived number of beta spin electrons + nmo_alpha 2 # derived number of alpha spin molecular orbitals + nmo_beta 2 # derived number of beta spin molecular orbitals + lo 1.4683e-03 # derived smallest length scale we need to resolve + protocol [1.0000e-05] # defined calculation protocol + gopt false # default geometry optimizer + gtol 1.0000e-04 # default geometry tolerance + gtest false # default geometry tolerance + gval 1.0000e-05 # default value precision + gprec 1.0000e-04 # default gradient precision + gmaxiter 20 # default optimization maxiter + ginitial_hessian false # default compute inital hessian for optimization + algopt bfgs # default algorithm used for optimization [bfgs, cg] + tdksprop false # default time-dependent Kohn-Sham equation propagate + nv_factor 1 # default factor to multiply number of virtual orbitals with when automatically decreasing nvirt + vnucextra 2 # default load balance parameter for nuclear pot + loadbalparts 2 # default ?? + response false # default response function calculation + response_freq 0.0000e+00 # default frequency for calculation response function + response_axis [1, 1, 1] # default response axis + nonrotate false # default if true do not molcule orient (redundant with no_orient + rconv 1.0000e-06 # default Response convergence + efield 0.0000e+00 # default eps for finite field + efield_axis 0 # default finite field axis [0, 1, 2] + ncf (slater,2.0000e+00) # defined nuclear correlation factor + hessian false # default compute the hessian matrix + read_cphf false # default read the converged orbital response for nuclear displacements from file + restart_cphf false # default read the guess orbital response for nuclear displacements from file + purify_hessian false # default symmetrize the hessian matrix based on atomic charges + +end + + + geometry + eprec 1.0e-06 + units atomic + Li 0.00000000 0.00000000 0.00000000 + H 1.43750000 0.00000000 0.00000000 + end + +Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 + +timer: Project vnuclear 0.29s 0.29s + +constructed nuclear correlation factor of the form + S_A = 1/(a-1) exp(-a Z_A r_{1A}) + 1 + a = 2.000000e+00 +with eprec 1.000000e-06 +which is of Slater type + +timer: reproject ncf 0.83s 0.83s +timer: guess density 0.16s 0.16s +timer: guess Coulomb potn 1.06s 1.06s +timer: guess lda potn 0.17s 0.17s +timer: guess overlap 0.04s 0.04s +timer: KEmat reconstruct 0.03s 0.03s +timer: KEmat differentiate 0.24s 0.24s +timer: KEmat compress 0.14s 0.14s +timer: KEmat inner products 0.12s 0.12s +timer: guess Kinet potn 0.55s 0.55s +timer: guess fock 0.49s 0.49s +timer: guess eigen sol 0.00s 0.00s +timer: guess orbital groupi 0.07s 0.07s + +starting protocol at time 102.9s +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 102.9s + +Solving NDIM= 3 with thresh 1.000000e-04 k 8 conv 1.000000e-04 + +timer: Boys localize 0.65s 0.65s +orbital irreps [] +saving vector of functions nemo_it0 +timer: reconstruct psi 0.08s 0.08s +timer: compute Jnemo 1.30s 1.30s +timer: compute Knemo 2.46s 2.46s +timer: compute Unemo 0.0084 1.05s 1.05s + + nuclear and kinetic -14.08868330 + coulomb 6.69224417 + exchange -2.33242117 + nuclear-repulsion 2.08695652 + regularized energy -7.64190377 + buggy if hybrid functionals are used.. +timer: compute energy 1.03s 1.03s +[-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 0.08s 0.08s +timer: transform Vpsi 0.01s 0.01s +timer: apply BSH 0.90s 0.90s +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 112.2s with energy -7.64190377 +current residual norm 1.181509e-01 + +timer: Boys localize 0.79s 0.79s +orbital irreps [] +saving vector of functions nemo_it1 +timer: reconstruct psi 0.10s 0.10s +timer: compute Jnemo 1.24s 1.24s +timer: compute Knemo 3.00s 3.00s +timer: compute Unemo 0.0066 1.26s 1.26s + + nuclear and kinetic -13.98180598 + coulomb 6.46498280 + exchange -2.26747280 + nuclear-repulsion 2.08695652 + regularized energy -7.69733945 + buggy if hybrid functionals are used.. +timer: compute energy 0.95s 0.95s +[-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 0.06s 0.06s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 0.90s 0.90s +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 122.6s with energy -7.69733945 +current residual norm 2.380522e-02 + +timer: Boys localize 0.83s 0.83s +orbital irreps [] +saving vector of functions nemo_it2 +timer: reconstruct psi 0.12s 0.12s +timer: compute Jnemo 1.36s 1.36s +timer: compute Knemo 2.50s 2.50s +timer: compute Unemo 0.0065 1.26s 1.26s + + nuclear and kinetic -13.97656549 + coulomb 6.44435091 + exchange -2.25778409 + nuclear-repulsion 2.08695652 + regularized energy -7.70304214 + buggy if hybrid functionals are used.. +timer: compute energy 0.98s 0.98s +[-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 0.11s 0.11s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 0.92s 0.92s +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 133.0s with energy -7.70304214 +current residual norm 9.503438e-03 + +timer: Boys localize 0.84s 0.84s +orbital irreps [] +saving vector of functions nemo_it3 +timer: reconstruct psi 0.11s 0.11s +timer: compute Jnemo 1.23s 1.23s +timer: compute Knemo 2.85s 2.85s +timer: compute Unemo 0.0065 1.04s 1.04s + + nuclear and kinetic -13.96360872 + coulomb 6.42197921 + exchange -2.24904533 + nuclear-repulsion 2.08695652 + regularized energy -7.70371832 + buggy if hybrid functionals are used.. +timer: compute energy 1.01s 1.01s +[-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 0.06s 0.06s +timer: transform Vpsi 0.01s 0.01s +timer: apply BSH 0.82s 0.82s +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 143.2s with energy -7.70371832 +current residual norm 2.315478e-03 + +timer: Boys localize 0.86s 0.86s +orbital irreps [] +saving vector of functions nemo_it4 +timer: reconstruct psi 0.09s 0.09s +timer: compute Jnemo 1.22s 1.22s +timer: compute Knemo 2.60s 2.60s +timer: compute Unemo 0.0066 1.12s 1.12s + + nuclear and kinetic -13.96316434 + coulomb 6.42107659 + exchange -2.24862541 + nuclear-repulsion 2.08695652 + regularized energy -7.70375663 + buggy if hybrid functionals are used.. +timer: compute energy 0.93s 0.93s +[-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 0.08s 0.08s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 0.83s 0.83s +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 153.7s with energy -7.70375663 +current residual norm 1.061793e-03 + +timer: Boys localize 0.87s 0.87s +orbital irreps [] +saving vector of functions nemo_it5 +timer: reconstruct psi 0.13s 0.13s +timer: compute Jnemo 1.35s 1.35s +timer: compute Knemo 2.64s 2.64s +timer: compute Unemo 0.0066 0.98s 0.98s + + nuclear and kinetic -13.96269793 + coulomb 6.42039679 + exchange -2.24841749 + nuclear-repulsion 2.08695652 + regularized energy -7.70376211 + buggy if hybrid functionals are used.. +timer: compute energy 1.05s 1.05s +[-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 0.06s 0.06s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 0.90s 0.90s +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 164.0s with energy -7.70376211 +current residual norm 4.787442e-04 + + +Iterations converged + +protocol: thresh 1.000000e-05 econv 1.000000e-05 dconv 1.000000e-04 + +ending protocol at time 164.0s + +Solving NDIM= 3 with thresh 1.000000e-05 k 8 conv 1.000000e-04 + +timer: Project vnuclear 0.42s 0.42s +timer: reproject ncf 1.19s 1.19s +timer: Boys localize 1.16s 1.16s +orbital irreps [] +saving vector of functions nemo_it0 +timer: reconstruct psi 0.13s 0.13s +timer: compute Jnemo 1.92s 1.92s +timer: compute Knemo 3.63s 3.63s +timer: compute Unemo 0.0083 1.21s 1.21s + + nuclear and kinetic -13.96262876 + coulomb 6.42051954 + exchange -2.24861513 + nuclear-repulsion 2.08695652 + regularized energy -7.70376783 + buggy if hybrid functionals are used.. +timer: compute energy 0.93s 0.93s +[-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 0.08s 0.08s +timer: transform Vpsi 0.02s 0.02s +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 178.9s with energy -7.70376783 +current residual norm 2.822050e-04 + +timer: Boys localize 0.81s 0.81s +orbital irreps [] +saving vector of functions nemo_it1 +timer: reconstruct psi 0.15s 0.15s +timer: compute Jnemo 1.78s 1.78s +timer: compute Knemo 3.39s 3.39s +timer: compute Unemo 0.0083 1.14s 1.14s + + nuclear and kinetic -13.96248412 + coulomb 6.42019093 + exchange -2.24849861 + nuclear-repulsion 2.08695652 + regularized energy -7.70383527 + buggy if hybrid functionals are used.. +timer: compute energy 1.02s 1.02s +[-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 0.08s 0.08s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 1.22s 1.22s +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 190.7s with energy -7.70383527 +current residual norm 1.288193e-04 + +timer: Boys localize 1.00s 1.00s +orbital irreps [] +saving vector of functions nemo_it2 +timer: reconstruct psi 0.13s 0.13s +timer: compute Jnemo 1.72s 1.72s +timer: compute Knemo 3.79s 3.79s +timer: compute Unemo 0.0083 0.95s 0.95s + + nuclear and kinetic -13.96240443 + coulomb 6.42007371 + exchange -2.24846138 + nuclear-repulsion 2.08695652 + regularized energy -7.70383558 + buggy if hybrid functionals are used.. +timer: compute energy 1.19s 1.19s +[-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 0.07s 0.07s +timer: transform Vpsi 0.02s 0.02s +timer: apply BSH 1.17s 1.17s +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 203.1s with energy -7.70383558 +current residual norm 7.087364e-05 + + +Iterations converged + + +ending protocol at time 203.1s + + Dipole Moment (a.u.) + ----------- + + x: -1.916948e+00 + y: 3.814946e-13 + z: 3.461261e-13 + Total Dipole Moment: 1.916948e+00 + +timer: dipole 0.06s 0.06s +Nemo Orbital Energies: [*] -2.46579798 -0.34379191 + +energy(LiH) -7.703836e+00 + +tests passed + +MADNESS runtime finalized but 1 world still exists test 51 Start 51: chem-test_dft @@ -9806,7 +12613,7 @@ 51: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/test_dft 51: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem 51: Test timeout computed to be: 1500 -51: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +51: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 51: xc energy: -2.466562e-03 51: xc energy via potential: -2.466562e-03 51: ratio 1.000000e+00 @@ -9816,14 +12623,25 @@ 51: tests passed 51: 51: MADNESS runtime finalized but 1 world still exists -51/56 Test #51: chem-test_dft ........................... Passed 3.62 sec +51/56 Test #51: chem-test_dft ...........................***Timeout 1500.12 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 +ratio 1.000000e+00 +xc energy via kernel: -2.466561e-03 +ratio 1.000000e+00 + +tests passed + +MADNESS runtime finalized but 1 world still exists + test 52 Start 52: chem-test_pointgroupsymmetry 52: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/test_pointgroupsymmetry 52: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem 52: Test timeout computed to be: 1500 -52: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +52: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 52: test operator multiplications 2D 52: .. all good 52: test operator multiplications 3D @@ -9836,160 +12654,160 @@ 52: point group cs 52: irrep a' 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm sigma_xy 1 2.263917e-16 +52: operator, character, norm sigma_xy 1 2.266450e-16 52: irrep a'' 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm sigma_xy -1 2.173311e-16 +52: operator, character, norm sigma_xy -1 2.173062e-16 52: point group c2 52: irrep a 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.821238e-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 2.904374e-16 +52: operator, character, norm C_2(z) -1 2.902846e-16 52: point group ci 52: irrep ag 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm inversion 1 3.124129e-16 +52: operator, character, norm inversion 1 3.123030e-16 52: irrep au 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm inversion -1 3.152614e-16 +52: operator, character, norm inversion -1 3.152003e-16 52: point group c2v 52: irrep a1 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.874069e-16 -52: operator, character, norm sigma_xz 1 2.437269e-16 -52: operator, character, norm sigma_yz 1 2.416838e-16 +52: operator, character, norm C_2(z) 1 2.872364e-16 +52: operator, character, norm sigma_xz 1 2.435904e-16 +52: operator, character, norm sigma_yz 1 2.416222e-16 52: irrep a2 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.934386e-16 -52: operator, character, norm sigma_xz -1 2.075750e-16 -52: operator, character, norm sigma_yz -1 2.614180e-16 +52: operator, character, norm C_2(z) 1 2.934391e-16 +52: operator, character, norm sigma_xz -1 2.074019e-16 +52: operator, character, norm sigma_yz -1 2.614075e-16 52: irrep b1 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 2.676239e-16 -52: operator, character, norm sigma_xz 1 2.032322e-16 -52: operator, character, norm sigma_yz -1 2.324720e-16 +52: operator, character, norm C_2(z) -1 2.676403e-16 +52: operator, character, norm sigma_xz 1 2.033050e-16 +52: operator, character, norm sigma_yz -1 2.324360e-16 52: irrep b2 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 3.126780e-16 -52: operator, character, norm sigma_xz -1 2.259306e-16 -52: operator, character, norm sigma_yz 1 2.825109e-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 -52: operator, character, norm C_2(z) 1 2.861880e-16 -52: operator, character, norm inversion 1 3.292778e-16 -52: operator, character, norm sigma_xy 1 2.270687e-16 +52: operator, character, norm C_2(z) 1 2.860313e-16 +52: operator, character, norm inversion 1 3.292653e-16 +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 2.900722e-16 -52: operator, character, norm inversion 1 3.224864e-16 -52: operator, character, norm sigma_xy -1 2.125734e-16 +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: irrep au 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.871122e-16 -52: operator, character, norm inversion -1 3.219381e-16 -52: operator, character, norm sigma_xy -1 2.173035e-16 +52: operator, character, norm C_2(z) 1 2.870865e-16 +52: operator, character, norm inversion -1 3.219470e-16 +52: operator, character, norm sigma_xy -1 2.172626e-16 52: irrep bu 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 2.983355e-16 -52: operator, character, norm inversion -1 3.283253e-16 -52: operator, character, norm sigma_xy 1 2.243634e-16 +52: operator, character, norm C_2(z) -1 2.978975e-16 +52: operator, character, norm inversion -1 3.277198e-16 +52: operator, character, norm sigma_xy 1 2.246267e-16 52: point group d2 52: irrep a1 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.850989e-16 -52: operator, character, norm C_2(y) 1 2.959709e-16 -52: operator, character, norm C_2(x) 1 2.925185e-16 +52: operator, character, norm C_2(z) 1 2.848319e-16 +52: operator, character, norm C_2(y) 1 2.958525e-16 +52: operator, character, norm C_2(x) 1 2.922966e-16 52: irrep b1 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.856085e-16 -52: operator, character, norm C_2(y) -1 2.912512e-16 -52: operator, character, norm C_2(x) -1 2.918295e-16 +52: operator, character, norm C_2(z) 1 2.859503e-16 +52: operator, character, norm C_2(y) -1 2.913730e-16 +52: operator, character, norm C_2(x) -1 2.913198e-16 52: irrep b2 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 2.792792e-16 -52: operator, character, norm C_2(y) 1 2.956837e-16 -52: operator, character, norm C_2(x) -1 2.769140e-16 +52: operator, character, norm C_2(z) -1 2.790801e-16 +52: operator, character, norm C_2(y) 1 2.956277e-16 +52: operator, character, norm C_2(x) -1 2.767813e-16 52: irrep b3 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 2.820942e-16 -52: operator, character, norm C_2(y) -1 2.969137e-16 -52: operator, character, norm C_2(x) 1 2.772195e-16 +52: operator, character, norm C_2(z) -1 2.818958e-16 +52: operator, character, norm C_2(y) -1 2.968616e-16 +52: operator, character, norm C_2(x) 1 2.770520e-16 52: point group d2h 52: irrep ag 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.914321e-16 -52: operator, character, norm C_2(y) 1 2.880131e-16 -52: operator, character, norm C_2(x) 1 2.950741e-16 -52: operator, character, norm inversion 1 3.345144e-16 -52: operator, character, norm sigma_xy 1 2.232661e-16 -52: operator, character, norm sigma_xz 1 2.540593e-16 -52: operator, character, norm sigma_yz 1 2.502187e-16 +52: operator, character, norm C_2(z) 1 2.910001e-16 +52: operator, character, norm C_2(y) 1 2.879857e-16 +52: operator, character, norm C_2(x) 1 2.949148e-16 +52: operator, character, norm inversion 1 3.344688e-16 +52: operator, character, norm sigma_xy 1 2.232829e-16 +52: operator, character, norm sigma_xz 1 2.537881e-16 +52: operator, character, norm sigma_yz 1 2.498792e-16 52: irrep au 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.864727e-16 -52: operator, character, norm C_2(y) 1 3.078820e-16 -52: operator, character, norm C_2(x) 1 2.841473e-16 -52: operator, character, norm inversion -1 3.396937e-16 -52: operator, character, norm sigma_xy -1 2.493493e-16 -52: operator, character, norm sigma_xz -1 2.110691e-16 -52: operator, character, norm sigma_yz -1 2.576022e-16 +52: operator, character, norm C_2(z) 1 2.863636e-16 +52: operator, character, norm C_2(y) 1 3.077931e-16 +52: operator, character, norm C_2(x) 1 2.838850e-16 +52: operator, character, norm inversion -1 3.396012e-16 +52: operator, character, norm sigma_xy -1 2.492307e-16 +52: operator, character, norm sigma_xz -1 2.108379e-16 +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 2.897103e-16 -52: operator, character, norm C_2(y) -1 3.061187e-16 -52: operator, character, norm C_2(x) -1 2.822947e-16 -52: operator, character, norm inversion 1 3.388230e-16 -52: operator, character, norm sigma_xy 1 2.426681e-16 -52: operator, character, norm sigma_xz -1 2.126245e-16 -52: operator, character, norm sigma_yz -1 2.564335e-16 +52: operator, character, norm C_2(z) 1 2.905851e-16 +52: operator, character, norm C_2(y) -1 3.067440e-16 +52: operator, character, norm C_2(x) -1 2.832779e-16 +52: operator, character, norm inversion 1 3.395980e-16 +52: operator, character, norm sigma_xy 1 2.437458e-16 +52: operator, character, norm sigma_xz -1 2.132981e-16 +52: operator, character, norm sigma_yz -1 2.569784e-16 52: irrep b1u 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) 1 2.871124e-16 -52: operator, character, norm C_2(y) -1 2.682419e-16 -52: operator, character, norm C_2(x) -1 2.798492e-16 -52: operator, character, norm inversion -1 3.130574e-16 -52: operator, character, norm sigma_xy -1 1.969353e-16 -52: operator, character, norm sigma_xz 1 2.398629e-16 -52: operator, character, norm sigma_yz 1 2.379920e-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 2.594594e-16 -52: operator, character, norm C_2(y) 1 2.634096e-16 -52: operator, character, norm C_2(x) -1 2.638296e-16 -52: operator, character, norm inversion 1 3.024125e-16 -52: operator, character, norm sigma_xy -1 2.140210e-16 -52: operator, character, norm sigma_xz 1 2.095583e-16 -52: operator, character, norm sigma_yz -1 2.225183e-16 +52: operator, character, norm C_2(z) -1 2.587893e-16 +52: operator, character, norm C_2(y) 1 2.625542e-16 +52: operator, character, norm C_2(x) -1 2.631313e-16 +52: operator, character, norm inversion 1 3.013967e-16 +52: operator, character, norm sigma_xy -1 2.126244e-16 +52: operator, character, norm sigma_xz 1 2.087869e-16 +52: operator, character, norm sigma_yz -1 2.217928e-16 52: irrep b2u 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 3.154953e-16 -52: operator, character, norm C_2(y) 1 3.247120e-16 -52: operator, character, norm C_2(x) -1 2.881622e-16 -52: operator, character, norm inversion -1 3.486907e-16 -52: operator, character, norm sigma_xy 1 2.352418e-16 -52: operator, character, norm sigma_xz -1 2.396943e-16 -52: operator, character, norm sigma_yz 1 2.938308e-16 +52: operator, character, norm C_2(z) -1 3.156545e-16 +52: operator, character, norm C_2(y) 1 3.248113e-16 +52: operator, character, norm C_2(x) -1 2.882059e-16 +52: operator, character, norm inversion -1 3.491268e-16 +52: operator, character, norm sigma_xy 1 2.359339e-16 +52: operator, character, norm sigma_xz -1 2.400474e-16 +52: operator, character, norm sigma_yz 1 2.947311e-16 52: irrep b3g 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 3.086077e-16 -52: operator, character, norm C_2(y) -1 3.145007e-16 -52: operator, character, norm C_2(x) 1 2.836653e-16 -52: operator, character, norm inversion 1 3.586584e-16 -52: operator, character, norm sigma_xy -1 2.459155e-16 -52: operator, character, norm sigma_xz -1 2.464762e-16 -52: operator, character, norm sigma_yz 1 2.960174e-16 +52: operator, character, norm C_2(z) -1 3.085651e-16 +52: operator, character, norm C_2(y) -1 3.145232e-16 +52: operator, character, norm C_2(x) 1 2.837117e-16 +52: operator, character, norm inversion 1 3.585469e-16 +52: operator, character, norm sigma_xy -1 2.460759e-16 +52: operator, character, norm sigma_xz -1 2.462714e-16 +52: operator, character, norm sigma_yz 1 2.961680e-16 52: irrep b3u 52: operator, character, norm identity 1 0.000000e+00 -52: operator, character, norm C_2(z) -1 2.621305e-16 -52: operator, character, norm C_2(y) -1 2.752886e-16 -52: operator, character, norm C_2(x) 1 2.655401e-16 -52: operator, character, norm inversion -1 3.027689e-16 -52: operator, character, norm sigma_xy 1 2.239281e-16 -52: operator, character, norm sigma_xz 1 2.017671e-16 -52: operator, character, norm sigma_yz -1 2.334692e-16 +52: operator, character, norm C_2(z) -1 2.622003e-16 +52: operator, character, norm C_2(y) -1 2.751945e-16 +52: operator, character, norm C_2(x) 1 2.656075e-16 +52: operator, character, norm inversion -1 3.028177e-16 +52: operator, character, norm sigma_xy 1 2.239818e-16 +52: operator, character, norm sigma_xz 1 2.018954e-16 +52: operator, character, norm sigma_yz -1 2.335531e-16 52: .. all good 52: point group c1 52: sym_equiv.size() 1 @@ -10040,30 +12858,258 @@ 52: .. all good 52: result 0 52: MADNESS runtime finalized but 1 world still exists -52/56 Test #52: chem-test_pointgroupsymmetry ............ Passed 36.53 sec +52/56 Test #52: chem-test_pointgroupsymmetry ............***Timeout 1500.17 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 +test operator multiplications 2D + .. all good +test operator multiplications 3D + .. all good +test multiplication table c2v + .. all good +point group c1 + irrep a + operator, character, norm identity 1 0.000000e+00 +point group cs + irrep a' + operator, character, norm identity 1 0.000000e+00 + operator, character, norm sigma_xy 1 2.266450e-16 + irrep a'' + operator, character, norm identity 1 0.000000e+00 + operator, character, norm sigma_xy -1 2.173062e-16 +point group c2 + irrep a + operator, character, norm identity 1 0.000000e+00 + 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 +point group ci + irrep ag + operator, character, norm identity 1 0.000000e+00 + operator, character, norm inversion 1 3.123030e-16 + irrep au + operator, character, norm identity 1 0.000000e+00 + operator, character, norm inversion -1 3.152003e-16 +point group c2v + irrep a1 + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) 1 2.872364e-16 + operator, character, norm sigma_xz 1 2.435904e-16 + operator, character, norm sigma_yz 1 2.416222e-16 + irrep a2 + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) 1 2.934391e-16 + operator, character, norm sigma_xz -1 2.074019e-16 + operator, character, norm sigma_yz -1 2.614075e-16 + irrep b1 + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) -1 2.676403e-16 + operator, character, norm sigma_xz 1 2.033050e-16 + operator, character, norm sigma_yz -1 2.324360e-16 + irrep b2 + operator, character, norm identity 1 0.000000e+00 + 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 + operator, character, norm C_2(z) 1 2.860313e-16 + operator, character, norm inversion 1 3.292653e-16 + 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 + irrep au + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) 1 2.870865e-16 + operator, character, norm inversion -1 3.219470e-16 + operator, character, norm sigma_xy -1 2.172626e-16 + irrep bu + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) -1 2.978975e-16 + operator, character, norm inversion -1 3.277198e-16 + operator, character, norm sigma_xy 1 2.246267e-16 +point group d2 + irrep a1 + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) 1 2.848319e-16 + operator, character, norm C_2(y) 1 2.958525e-16 + operator, character, norm C_2(x) 1 2.922966e-16 + irrep b1 + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) 1 2.859503e-16 + operator, character, norm C_2(y) -1 2.913730e-16 + operator, character, norm C_2(x) -1 2.913198e-16 + irrep b2 + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) -1 2.790801e-16 + operator, character, norm C_2(y) 1 2.956277e-16 + operator, character, norm C_2(x) -1 2.767813e-16 + irrep b3 + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) -1 2.818958e-16 + operator, character, norm C_2(y) -1 2.968616e-16 + operator, character, norm C_2(x) 1 2.770520e-16 +point group d2h + irrep ag + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) 1 2.910001e-16 + operator, character, norm C_2(y) 1 2.879857e-16 + operator, character, norm C_2(x) 1 2.949148e-16 + operator, character, norm inversion 1 3.344688e-16 + operator, character, norm sigma_xy 1 2.232829e-16 + operator, character, norm sigma_xz 1 2.537881e-16 + operator, character, norm sigma_yz 1 2.498792e-16 + irrep au + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) 1 2.863636e-16 + operator, character, norm C_2(y) 1 3.077931e-16 + operator, character, norm C_2(x) 1 2.838850e-16 + operator, character, norm inversion -1 3.396012e-16 + operator, character, norm sigma_xy -1 2.492307e-16 + operator, character, norm sigma_xz -1 2.108379e-16 + 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 2.905851e-16 + operator, character, norm C_2(y) -1 3.067440e-16 + operator, character, norm C_2(x) -1 2.832779e-16 + operator, character, norm inversion 1 3.395980e-16 + operator, character, norm sigma_xy 1 2.437458e-16 + operator, character, norm sigma_xz -1 2.132981e-16 + operator, character, norm sigma_yz -1 2.569784e-16 + irrep b1u + operator, character, norm identity 1 0.000000e+00 + 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 2.587893e-16 + operator, character, norm C_2(y) 1 2.625542e-16 + operator, character, norm C_2(x) -1 2.631313e-16 + operator, character, norm inversion 1 3.013967e-16 + operator, character, norm sigma_xy -1 2.126244e-16 + operator, character, norm sigma_xz 1 2.087869e-16 + operator, character, norm sigma_yz -1 2.217928e-16 + irrep b2u + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) -1 3.156545e-16 + operator, character, norm C_2(y) 1 3.248113e-16 + operator, character, norm C_2(x) -1 2.882059e-16 + operator, character, norm inversion -1 3.491268e-16 + operator, character, norm sigma_xy 1 2.359339e-16 + operator, character, norm sigma_xz -1 2.400474e-16 + operator, character, norm sigma_yz 1 2.947311e-16 + irrep b3g + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) -1 3.085651e-16 + operator, character, norm C_2(y) -1 3.145232e-16 + operator, character, norm C_2(x) 1 2.837117e-16 + operator, character, norm inversion 1 3.585469e-16 + operator, character, norm sigma_xy -1 2.460759e-16 + operator, character, norm sigma_xz -1 2.462714e-16 + operator, character, norm sigma_yz 1 2.961680e-16 + irrep b3u + operator, character, norm identity 1 0.000000e+00 + operator, character, norm C_2(z) -1 2.622003e-16 + operator, character, norm C_2(y) -1 2.751945e-16 + operator, character, norm C_2(x) 1 2.656075e-16 + operator, character, norm inversion -1 3.028177e-16 + operator, character, norm sigma_xy 1 2.239818e-16 + operator, character, norm sigma_xz 1 2.018954e-16 + operator, character, norm sigma_yz -1 2.335531e-16 + .. all good +point group c1 +sym_equiv.size() 1 +sym_adapt.size() 1 +sirrep [a] +point group cs +final function irreps: [a', a''] +sym_equiv.size() 2 +final function irreps: [a', a''] +sym_adapt.size() 2 +sirrep [a', a''] +point group c2 +final function irreps: [a, b] +sym_equiv.size() 2 +final function irreps: [a, b] +sym_adapt.size() 2 +sirrep [a, b] +point group ci +final function irreps: [ag, au] +sym_equiv.size() 2 +final function irreps: [ag, au] +sym_adapt.size() 2 +sirrep [ag, au] +point group c2v +final function irreps: [a1, a2, b1, b2] +sym_equiv.size() 4 +final function irreps: [a1, b2, a2, b1] +sym_adapt.size() 4 +sirrep [a1, b2, a2, b1] +point group c2h +final function irreps: [ag, bg, au, bu] +sym_equiv.size() 4 +final function irreps: [ag, bu, bg, au] +sym_adapt.size() 4 +sirrep [ag, bu, bg, au] +point group d2 +final function irreps: [a1, b1, b2, b3] +sym_equiv.size() 4 +final function irreps: [a1, b1, b3, b2] +sym_adapt.size() 4 +sirrep [a1, b1, b3, b2] +point group d2h +final function irreps: [ag, au, b1g, b1u, b2g, b2u, b3g, b3u] +sym_equiv.size() 8 +final function irreps: [ag, b3u, b3g, au, b1u, b2g, b2u, b1g] +sym_adapt.size() 8 +sirrep [ag, b3u, b3g, au, b1u, b2g, b2u, b1g] + .. all good +result 0 +MADNESS runtime finalized but 1 world still exists + test 53 Start 53: chem-test_masks_and_boxes 53: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/test_masks_and_boxes 53: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem 53: Test timeout computed to be: 1500 -53: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +53: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 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 7.2s: norm/tree/real/size: 110.65827 29769, 0.022, 0.099 GByte +53: sbox with deviation 1e.-2 at time 4.3s: 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 ............... Passed 7.90 sec +53/56 Test #53: chem-test_masks_and_boxes ...............***Timeout 1500.13 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 + + test masks_and_boxes + +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 4.3s: 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 Start 54: chem-test_QCCalculationParametersBase 54: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/test_QCCalculationParametersBase 54: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem 54: Test timeout computed to be: 1500 -54: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +54: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 54: defined parameters 54: econv 1.0000e-04 # defined recommended values: 1.e-4 < econv < 1.e-8 54: dconv 1.0000e-04 # defined recommended values: 1.e-4 < econv < 1.e-8 @@ -10113,55 +13159,99 @@ 54: entering test_empty_lines 54: entering test_derived 54: -54: finished at time 2.2s +54: finished at time 1.9s 54: 54: MADNESS runtime finalized but 1 world still exists -54/56 Test #54: chem-test_QCCalculationParametersBase ... Passed 2.43 sec +54/56 Test #54: chem-test_QCCalculationParametersBase ...***Timeout 1500.11 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 + dconv 1.0000e-04 # defined recommended values: 1.e-4 < econv < 1.e-8 + maxiter 12 # defined + localize true # default + local boys # default localization method [boys, pm, canon] + proto [1.0000e+00, 2.0000e+00] # default + ncf (slater,1.2000e+00) # defined + +foot + + +default parameters + econv 1.0000e-05 # default recommended values: 1.e-4 < econv < 1.e-8 + dconv 3.0000e-04 # default recommended values: 1.e-4 < econv < 1.e-8 + maxiter 15 # default + localize true # default + local boys # default localization method [boys, pm, canon] + proto [1.0000e+00, 2.0000e+00] # default + ncf (slater,2.0000e+00) # default + +foot + + +serialized parameters + econv 1.0000e-04 # defined recommended values: 1.e-4 < econv < 1.e-8 + dconv 1.0000e-04 # defined recommended values: 1.e-4 < econv < 1.e-8 + maxiter 12 # defined + localize true # default + local boys # default localization method [boys, pm, canon] + proto [1.0000e+00, 2.0000e+00] # default + ncf (slater,1.2000e+00) # defined + +foot + + +entering test_type_conversion1 +entering test_type_conversion2 +entering test_type_conversion3 +entering test_type_conversion5 +entering test_type_conversion6 +entering test_type_conversion7 +entering test_type_conversion8 +entering test_capitalization +entering test_not_allowed +entering test_commentlines +entering test_empty_lines +entering test_derived + +finished at time 1.9s + +MADNESS runtime finalized but 1 world still exists + test 55 Start 55: chem-test_qc 55: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/test_qc 55: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem 55: Test timeout computed to be: 1500 -55: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +55: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 55: save false # defined if true save orbitals to disk 55: print_level 1 # defined 0: no output; 1: final energy; 2: iterations; 3: timings; 10: debug 55: -55: !!MADNESS: Hung queue? -55: !!MADNESS: Hung queue? -55: !!MADNESS: Hung queue? -55: !!MADNESS: Hung queue? -55: !!MADNESS: Hung queue? -55: !!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 6 pending task(s) -55: TENSOR ASSERTION FAILED: "./src/madness/tensor/tensor.h"(2063): slice start invalid -55: MADNESS: fatal error: caught an STL exception -55: Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 -55: !! MADNESS ERROR: Mutex::lock() failed acquiring mutex -55: !! MADNESS ERROR: Mutex error EINVAL -55: !! MADNESS ERROR: The value specified by mutex does not refer to an initialized mutex object. -55: A madness exception occurred. Place a break point at madness::exception_break to debug. -55: terminate called after throwing an instance of 'madness::MadnessException' -55: what(): Mutex::lock() failed acquiring mutex -55/56 Test #55: chem-test_qc ............................Subprocess aborted***Exception: 22.17 sec -MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +55: energy(LiH) -7.703837e+00 +55: energy, hard-wire, diff -7.703837e+00 7.703833e+00 -3.767389e-06 +55: make all single variations for econv +55: made 1 singles permutations +55: econv 1.0000e-04 # defined energy convergence +55: maxiter 1 # defined maximum number of iterations +55: save false # defined if true save orbitals to disk +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 1500.13 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 + +energy(LiH) -7.703837e+00 +energy, hard-wire, diff -7.703837e+00 7.703833e+00 -3.767389e-06 +make all single variations for econv +made 1 singles permutations + econv 1.0000e-04 # defined energy convergence + maxiter 1 # defined maximum number of iterations 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 -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 6 pending task(s) -TENSOR ASSERTION FAILED: "./src/madness/tensor/tensor.h"(2063): slice start invalid -MADNESS: fatal error: caught an STL exception -Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0 -!! MADNESS ERROR: Mutex::lock() failed acquiring mutex -!! MADNESS ERROR: Mutex error EINVAL -!! MADNESS ERROR: The value specified by mutex does not refer to an initialized mutex object. -A madness exception occurred. Place a break point at madness::exception_break to debug. -terminate called after throwing an instance of 'madness::MadnessException' - what(): Mutex::lock() failed acquiring mutex +energy(LiH) -7.696558e+00 test 56 Start 56: chem-test_MolecularOrbitals @@ -10169,7 +13259,7 @@ 56: Test command: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem/test_MolecularOrbitals 56: Working Directory: /build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu/src/apps/chem 56: Test timeout computed to be: 1500 -56: MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +56: MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 56: 56: Construct XC Functional from LIBXC Library 56: @@ -10184,40 +13274,40 @@ 56: 56: Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 56: -56: timer: Project vnuclear 0.43s 0.47s -56: timer: guess density 0.15s 0.16s -56: timer: guess Coulomb potn 104287.62s 1.42s -56: timer: guess lda potn -104286.14s 0.17s -56: timer: guess overlap 0.13s 0.14s +56: timer: Project vnuclear 0.25s 0.25s +56: timer: guess density 0.08s 0.08s +56: timer: guess Coulomb potn 0.95s 0.95s +56: timer: guess lda potn 0.19s 0.19s +56: timer: guess overlap 0.03s 0.03s 56: timer: KEmat reconstruct 0.05s 0.05s -56: timer: KEmat differentiate 0.97s 1.05s -56: timer: KEmat compress 104286.95s 0.55s -56: timer: KEmat inner products 0.46s 0.46s -56: timer: guess Kinet potn 104288.44s 2.11s -56: timer: guess fock -104286.15s 0.35s +56: timer: KEmat differentiate 0.28s 0.28s +56: timer: KEmat compress 0.05s 0.05s +56: timer: KEmat inner products 0.11s 0.11s +56: timer: guess Kinet potn 0.50s 0.50s +56: timer: guess fock 0.33s 0.33s 56: timer: guess eigen sol 0.00s 0.00s -56: timer: guess orbital groupi 0.14s 0.15s +56: timer: guess orbital groupi 0.03s 0.03s 56: 56: Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 56: -56: timer: Project vnuclear 0.32s 0.35s +56: timer: Project vnuclear 0.25s 0.25s 56: -56: Iteration 0 at time 10.2s +56: Iteration 0 at time 5.4s 56: -56: timer: Pipek-Mezy new 0.11s 0.12s -56: timer: Make densities 0.10s 0.10s +56: timer: Pipek-Mezy new 0.05s 0.05s +56: timer: Make densities 0.04s 0.04s 56: timer: Load balancing 0.00s 0.00s -56: timer: Nuclear energy 0.05s 0.06s -56: timer: Coulomb 1.15s 1.24s -56: timer: V*psi 0.09s 0.10s -56: timer: HF exchange 1.83s 1.97s -56: timer: Truncate Vpsi 0.03s 0.04s -56: timer: PE matrix 0.10s 0.11s -56: timer: KEmat reconstruct 0.05s 0.05s -56: timer: KEmat differentiate 0.27s 0.29s -56: timer: KEmat compress 0.04s 0.04s -56: timer: KEmat inner products 0.16s 0.17s -56: timer: KE matrix 0.52s 0.56s +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 1.36s 1.36s +56: timer: Truncate Vpsi 0.04s 0.04s +56: timer: PE matrix 0.02s 0.02s +56: timer: KEmat reconstruct 0.02s 0.02s +56: timer: KEmat differentiate 0.10s 0.10s +56: timer: KEmat compress 0.07s 0.07s +56: timer: KEmat inner products 0.07s 0.07s +56: timer: KE matrix 0.27s 0.27s 56: timer: Make fock matrix res 0.00s 0.00s 56: 56: kinetic 9.00436527 @@ -10229,34 +13319,34 @@ 56: nuclear-repulsion 2.08695652 56: total -7.64479540 56: -56: timer: Compute residual stu 0.08s 0.08s -56: timer: Apply BSH 0.64s 0.69s -56: timer: Truncate new psi 0.10s 0.10s +56: timer: Compute residual stu 0.04s 0.04s +56: timer: Apply BSH 0.42s 0.42s +56: timer: Truncate new psi 0.06s 0.06s 56: residuals [1.852805e-02, 1.557243e-01] 56: BSH residual: rms 1.108903e-01 max 1.557243e-01 -56: timer: BSH residual 0.04s 0.05s -56: timer: Update subspace stuf 0.11s 0.12s -56: timer: Subspace transform 0.02s 0.02s +56: timer: BSH residual 0.02s 0.02s +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 0.23s 0.25s +56: timer: Orthonormalize 0.14s 0.14s 56: -56: Iteration 1 at time 16.3s +56: Iteration 1 at time 9.2s 56: -56: timer: Pipek-Mezy new 0.08s 0.09s -56: timer: Make densities 0.08s 0.08s +56: timer: Pipek-Mezy new 0.04s 0.04s +56: timer: Make densities 0.05s 0.05s 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 0.05s 0.06s -56: timer: Coulomb 0.95s 1.03s -56: timer: V*psi 104287.30s 0.10s -56: timer: HF exchange -104285.34s 2.01s -56: timer: Truncate Vpsi 0.04s 0.04s -56: timer: PE matrix 0.10s 0.11s -56: timer: KEmat reconstruct 0.02s 0.02s -56: timer: KEmat differentiate 0.33s 0.36s -56: timer: KEmat compress 0.04s 0.04s -56: timer: KEmat inner products 0.29s 0.31s -56: timer: KE matrix 0.68s 0.73s +56: timer: Nuclear energy 0.01s 0.01s +56: timer: Coulomb 0.66s 0.66s +56: timer: V*psi 0.10s 0.10s +56: timer: HF exchange 1.24s 1.24s +56: timer: Truncate Vpsi 0.03s 0.03s +56: timer: PE matrix 0.03s 0.03s +56: timer: KEmat reconstruct 0.04s 0.04s +56: timer: KEmat differentiate 0.06s 0.06s +56: timer: KEmat compress 0.06s 0.06s +56: timer: KEmat inner products 0.09s 0.09s +56: timer: KE matrix 0.25s 0.25s 56: timer: Make fock matrix res 0.00s 0.00s 56: 56: kinetic 8.68594569 @@ -10268,7 +13358,7 @@ 56: nuclear-repulsion 2.08695652 56: total -7.69515189 56: -56: timer: Overlap 0.14s 0.15s +56: timer: Overlap 0.05s 0.05s 56: timer: focka eigen sol 0.00s 0.00s 56: 56: alpha eigenvalues @@ -10278,16 +13368,16 @@ 56: Dipole Moment (a.u.) 56: ----------- 56: -56: x: 6.946245e-12 -56: y: 6.945874e-12 +56: x: 6.962648e-12 +56: y: 6.945291e-12 56: z: -1.945799e+00 56: Total Dipole Moment: 1.945799e+00 56: -56: timer: dipole 0.03s 0.03s +56: timer: dipole 0.01s 0.01s 56: Orbitals are localized - energies are diagonal Fock matrix elements 56: 56: Analysis of alpha MO vectors -56: timer: Analyze vectors 1.11s 1.20s +56: timer: Analyze vectors 0.69s 0.69s 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 @@ -10312,40 +13402,40 @@ 56: 56: Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 56: -56: timer: Project vnuclear -104287.31s 0.38s -56: timer: guess density 0.10s 0.11s -56: timer: guess Coulomb potn 104289.02s 1.32s -56: timer: guess lda potn 0.20s 0.20s -56: timer: guess overlap 0.08s 0.08s +56: timer: Project vnuclear 0.21s 0.21s +56: timer: guess density 0.08s 0.08s +56: timer: guess Coulomb potn 0.96s 0.96s +56: timer: guess lda potn 0.15s 0.15s +56: timer: guess overlap 0.05s 0.05s 56: timer: KEmat reconstruct 0.04s 0.04s -56: timer: KEmat differentiate 0.88s 0.88s -56: timer: KEmat compress -104287.80s 0.09s -56: timer: KEmat inner products 0.35s 0.38s -56: timer: guess Kinet potn -104286.50s 1.42s -56: timer: guess fock 0.34s 0.36s +56: timer: KEmat differentiate 0.28s 0.28s +56: timer: KEmat compress 0.05s 0.05s +56: timer: KEmat inner products 0.10s 0.10s +56: timer: guess Kinet potn 0.48s 0.48s +56: timer: guess fock 0.36s 0.36s 56: timer: guess eigen sol 0.00s 0.00s -56: timer: guess orbital groupi 0.07s 0.08s +56: timer: guess orbital groupi 0.06s 0.06s 56: 56: Solving NDIM= 3 with thresh 1.000000e-03 k 6 conv 1.000000e-03 56: -56: timer: Project vnuclear 0.25s 0.27s +56: timer: Project vnuclear 0.20s 0.20s 56: -56: Iteration 0 at time 29.8s +56: Iteration 0 at time 17.2s 56: -56: timer: Pipek-Mezy new 0.02s 0.02s -56: timer: Make densities 0.07s 0.08s +56: timer: Pipek-Mezy new 0.04s 0.04s +56: timer: Make densities 0.06s 0.06s 56: timer: Load balancing 0.00s 0.00s -56: timer: Nuclear energy 0.04s 0.04s -56: timer: Coulomb 0.51s 0.54s -56: timer: V*psi 0.09s 0.10s -56: timer: HF exchange 1.41s 1.52s -56: timer: Truncate Vpsi 0.03s 0.03s +56: timer: Nuclear energy 0.02s 0.02s +56: timer: Coulomb 0.30s 0.30s +56: timer: V*psi 0.04s 0.04s +56: timer: HF exchange 0.91s 0.91s +56: timer: Truncate Vpsi 0.02s 0.02s 56: timer: PE matrix 0.02s 0.02s -56: timer: KEmat reconstruct 0.02s 0.02s -56: timer: KEmat differentiate 0.05s 0.05s -56: timer: KEmat compress 0.03s 0.03s -56: timer: KEmat inner products 0.06s 0.07s -56: timer: KE matrix 0.16s 0.18s +56: timer: KEmat reconstruct 0.06s 0.06s +56: timer: KEmat differentiate 0.06s 0.06s +56: timer: KEmat compress 0.02s 0.02s +56: timer: KEmat inner products 0.06s 0.06s +56: timer: KE matrix 0.22s 0.22s 56: timer: Make fock matrix res 0.00s 0.00s 56: 56: kinetic 9.00698174 @@ -10357,36 +13447,78 @@ 56: nuclear-repulsion 2.08695652 56: total -7.63739591 56: -56: timer: Compute residual stu 0.02s 0.03s -56: timer: Apply BSH 0.36s 0.39s -56: timer: Truncate new psi 0.07s 0.08s +56: timer: Compute residual stu 0.02s 0.02s +56: timer: Apply BSH 0.34s 0.34s +56: timer: Truncate new psi 0.08s 0.08s 56: residuals [1.876331e-02, 1.575521e-01] 56: BSH residual: rms 1.121934e-01 max 1.575521e-01 -56: timer: BSH residual 0.04s 0.05s -56: timer: Update subspace stuf 0.07s 0.08s -56: timer: Subspace transform 0.03s 0.03s +56: timer: BSH residual 0.03s 0.03s +56: timer: Update subspace stuf 0.03s 0.03s +56: timer: Subspace transform 0.00s 0.00s 56: Norm of vector changes alpha : rms 1.121934e-01 max 1.575521e-01 -56: timer: Orthonormalize 0.30s 0.33s +56: timer: Orthonormalize 0.12s 0.12s 56: -56: Iteration 1 at time 33.6s +56: Iteration 1 at time 19.7s 56: -56: timer: Pipek-Mezy new 0.02s 0.03s -56: timer: Make densities 0.08s 0.08s +56: timer: Pipek-Mezy new 0.04s 0.04s +56: timer: Make densities 0.03s 0.03s 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 0.05s 0.05s -56: timer: Coulomb -104287.87s 0.51s -56: timer: V*psi 0.07s 0.07s -56: !!MADNESS: Hung queue? -56: !!MADNESS: Hung queue? -56: !!MADNESS: Hung queue? -56: !!MADNESS: Hung queue? -56: !!MADNESS: Hung queue? -56: !!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 204 pending task(s) -56: terminate called after throwing an instance of 'madness::MadnessException' -56: what(): ThreadPool::await() timed out after 900.0 seconds -56/56 Test #56: chem-test_MolecularOrbitals .............Subprocess aborted***Exception: 35.97 sec -MADNESS runtime initialized with 63 threads in the pool and affinity -1 -1 -1 +56: timer: Nuclear energy 0.01s 0.01s +56: timer: Coulomb 0.30s 0.30s +56: timer: V*psi 0.06s 0.06s +56: timer: HF exchange 0.84s 0.84s +56: timer: Truncate Vpsi 0.01s 0.01s +56: timer: PE matrix 0.03s 0.03s +56: timer: KEmat reconstruct 0.04s 0.04s +56: timer: KEmat differentiate 0.04s 0.04s +56: timer: KEmat compress 0.04s 0.04s +56: timer: KEmat inner products 0.05s 0.05s +56: timer: KE matrix 0.18s 0.18s +56: timer: Make fock matrix res 0.00s 0.00s +56: +56: kinetic 8.68200342 +56: nonlocal psp 0.00000000 +56: nuclear attraction -22.65060635 +56: coulomb 6.45920160 +56: PCM 0.00000000 +56: exchange-correlation -2.26579154 +56: nuclear-repulsion 2.08695652 +56: total -7.68823635 +56: +56: timer: Overlap 0.04s 0.04s +56: timer: focka eigen sol 0.00s 0.00s +56: +56: alpha eigenvalues +56: [*] -2.49171330 -0.29970479 +56: +56: +56: Dipole Moment (a.u.) +56: ----------- +56: +56: x: 7.690476e-12 +56: y: 7.689366e-12 +56: z: -1.947957e+00 +56: Total Dipole Moment: 1.947957e+00 +56: +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 0.72s 0.72s +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 +56: total number of coefficients = 8.46720000e+04 +56: +56: MO 1 : occ=1.00 : energy= -0.34947112 : ncoeff=8.47e+04:center=(-0.00,-0.00,1.35) : radius=2.01 +56: H(1) s( 5) 0.612 Li(0) pz( 4) 0.365 Li(0) s( 1) 0.329 Li(0) s( 0)-0.191 +56: total number of coefficients = 1.69344000e+05 +56: +56: reading from aobasis STO-3G +56: result 0 +56/56 Test #56: chem-test_MolecularOrbitals .............***Timeout 1500.12 sec +MADNESS runtime initialized with 127 threads in the pool and affinity -1 -1 -1 Construct XC Functional from LIBXC Library @@ -10401,40 +13533,40 @@ Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 -timer: Project vnuclear 0.43s 0.47s -timer: guess density 0.15s 0.16s -timer: guess Coulomb potn 104287.62s 1.42s -timer: guess lda potn -104286.14s 0.17s -timer: guess overlap 0.13s 0.14s +timer: Project vnuclear 0.25s 0.25s +timer: guess density 0.08s 0.08s +timer: guess Coulomb potn 0.95s 0.95s +timer: guess lda potn 0.19s 0.19s +timer: guess overlap 0.03s 0.03s timer: KEmat reconstruct 0.05s 0.05s -timer: KEmat differentiate 0.97s 1.05s -timer: KEmat compress 104286.95s 0.55s -timer: KEmat inner products 0.46s 0.46s -timer: guess Kinet potn 104288.44s 2.11s -timer: guess fock -104286.15s 0.35s +timer: KEmat differentiate 0.28s 0.28s +timer: KEmat compress 0.05s 0.05s +timer: KEmat inner products 0.11s 0.11s +timer: guess Kinet potn 0.50s 0.50s +timer: guess fock 0.33s 0.33s timer: guess eigen sol 0.00s 0.00s -timer: guess orbital groupi 0.14s 0.15s +timer: guess orbital groupi 0.03s 0.03s Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 -timer: Project vnuclear 0.32s 0.35s +timer: Project vnuclear 0.25s 0.25s -Iteration 0 at time 10.2s +Iteration 0 at time 5.4s -timer: Pipek-Mezy new 0.11s 0.12s -timer: Make densities 0.10s 0.10s +timer: Pipek-Mezy new 0.05s 0.05s +timer: Make densities 0.04s 0.04s timer: Load balancing 0.00s 0.00s -timer: Nuclear energy 0.05s 0.06s -timer: Coulomb 1.15s 1.24s -timer: V*psi 0.09s 0.10s -timer: HF exchange 1.83s 1.97s -timer: Truncate Vpsi 0.03s 0.04s -timer: PE matrix 0.10s 0.11s -timer: KEmat reconstruct 0.05s 0.05s -timer: KEmat differentiate 0.27s 0.29s -timer: KEmat compress 0.04s 0.04s -timer: KEmat inner products 0.16s 0.17s -timer: KE matrix 0.52s 0.56s +timer: Nuclear energy 0.03s 0.03s +timer: Coulomb 0.81s 0.81s +timer: V*psi 0.08s 0.08s +timer: HF exchange 1.36s 1.36s +timer: Truncate Vpsi 0.04s 0.04s +timer: PE matrix 0.02s 0.02s +timer: KEmat reconstruct 0.02s 0.02s +timer: KEmat differentiate 0.10s 0.10s +timer: KEmat compress 0.07s 0.07s +timer: KEmat inner products 0.07s 0.07s +timer: KE matrix 0.27s 0.27s timer: Make fock matrix res 0.00s 0.00s kinetic 9.00436527 @@ -10446,34 +13578,34 @@ nuclear-repulsion 2.08695652 total -7.64479540 -timer: Compute residual stu 0.08s 0.08s -timer: Apply BSH 0.64s 0.69s -timer: Truncate new psi 0.10s 0.10s +timer: Compute residual stu 0.04s 0.04s +timer: Apply BSH 0.42s 0.42s +timer: Truncate new psi 0.06s 0.06s residuals [1.852805e-02, 1.557243e-01] BSH residual: rms 1.108903e-01 max 1.557243e-01 -timer: BSH residual 0.04s 0.05s -timer: Update subspace stuf 0.11s 0.12s -timer: Subspace transform 0.02s 0.02s +timer: BSH residual 0.02s 0.02s +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 0.23s 0.25s +timer: Orthonormalize 0.14s 0.14s -Iteration 1 at time 16.3s +Iteration 1 at time 9.2s -timer: Pipek-Mezy new 0.08s 0.09s -timer: Make densities 0.08s 0.08s +timer: Pipek-Mezy new 0.04s 0.04s +timer: Make densities 0.05s 0.05s 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 0.05s 0.06s -timer: Coulomb 0.95s 1.03s -timer: V*psi 104287.30s 0.10s -timer: HF exchange -104285.34s 2.01s -timer: Truncate Vpsi 0.04s 0.04s -timer: PE matrix 0.10s 0.11s -timer: KEmat reconstruct 0.02s 0.02s -timer: KEmat differentiate 0.33s 0.36s -timer: KEmat compress 0.04s 0.04s -timer: KEmat inner products 0.29s 0.31s -timer: KE matrix 0.68s 0.73s +timer: Nuclear energy 0.01s 0.01s +timer: Coulomb 0.66s 0.66s +timer: V*psi 0.10s 0.10s +timer: HF exchange 1.24s 1.24s +timer: Truncate Vpsi 0.03s 0.03s +timer: PE matrix 0.03s 0.03s +timer: KEmat reconstruct 0.04s 0.04s +timer: KEmat differentiate 0.06s 0.06s +timer: KEmat compress 0.06s 0.06s +timer: KEmat inner products 0.09s 0.09s +timer: KE matrix 0.25s 0.25s timer: Make fock matrix res 0.00s 0.00s kinetic 8.68594569 @@ -10485,7 +13617,7 @@ nuclear-repulsion 2.08695652 total -7.69515189 -timer: Overlap 0.14s 0.15s +timer: Overlap 0.05s 0.05s timer: focka eigen sol 0.00s 0.00s alpha eigenvalues @@ -10495,16 +13627,16 @@ Dipole Moment (a.u.) ----------- - x: 6.946245e-12 - y: 6.945874e-12 + x: 6.962648e-12 + y: 6.945291e-12 z: -1.945799e+00 Total Dipole Moment: 1.945799e+00 -timer: dipole 0.03s 0.03s +timer: dipole 0.01s 0.01s Orbitals are localized - energies are diagonal Fock matrix elements Analysis of alpha MO vectors -timer: Analyze vectors 1.11s 1.20s +timer: Analyze vectors 0.69s 0.69s 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 @@ -10529,40 +13661,40 @@ Solving NDIM= 3 with thresh 1.000000e-04 k 6 conv 1.000000e-04 -timer: Project vnuclear -104287.31s 0.38s -timer: guess density 0.10s 0.11s -timer: guess Coulomb potn 104289.02s 1.32s -timer: guess lda potn 0.20s 0.20s -timer: guess overlap 0.08s 0.08s +timer: Project vnuclear 0.21s 0.21s +timer: guess density 0.08s 0.08s +timer: guess Coulomb potn 0.96s 0.96s +timer: guess lda potn 0.15s 0.15s +timer: guess overlap 0.05s 0.05s timer: KEmat reconstruct 0.04s 0.04s -timer: KEmat differentiate 0.88s 0.88s -timer: KEmat compress -104287.80s 0.09s -timer: KEmat inner products 0.35s 0.38s -timer: guess Kinet potn -104286.50s 1.42s -timer: guess fock 0.34s 0.36s +timer: KEmat differentiate 0.28s 0.28s +timer: KEmat compress 0.05s 0.05s +timer: KEmat inner products 0.10s 0.10s +timer: guess Kinet potn 0.48s 0.48s +timer: guess fock 0.36s 0.36s timer: guess eigen sol 0.00s 0.00s -timer: guess orbital groupi 0.07s 0.08s +timer: guess orbital groupi 0.06s 0.06s Solving NDIM= 3 with thresh 1.000000e-03 k 6 conv 1.000000e-03 -timer: Project vnuclear 0.25s 0.27s +timer: Project vnuclear 0.20s 0.20s -Iteration 0 at time 29.8s +Iteration 0 at time 17.2s -timer: Pipek-Mezy new 0.02s 0.02s -timer: Make densities 0.07s 0.08s +timer: Pipek-Mezy new 0.04s 0.04s +timer: Make densities 0.06s 0.06s timer: Load balancing 0.00s 0.00s -timer: Nuclear energy 0.04s 0.04s -timer: Coulomb 0.51s 0.54s -timer: V*psi 0.09s 0.10s -timer: HF exchange 1.41s 1.52s -timer: Truncate Vpsi 0.03s 0.03s +timer: Nuclear energy 0.02s 0.02s +timer: Coulomb 0.30s 0.30s +timer: V*psi 0.04s 0.04s +timer: HF exchange 0.91s 0.91s +timer: Truncate Vpsi 0.02s 0.02s timer: PE matrix 0.02s 0.02s -timer: KEmat reconstruct 0.02s 0.02s -timer: KEmat differentiate 0.05s 0.05s -timer: KEmat compress 0.03s 0.03s -timer: KEmat inner products 0.06s 0.07s -timer: KE matrix 0.16s 0.18s +timer: KEmat reconstruct 0.06s 0.06s +timer: KEmat differentiate 0.06s 0.06s +timer: KEmat compress 0.02s 0.02s +timer: KEmat inner products 0.06s 0.06s +timer: KE matrix 0.22s 0.22s timer: Make fock matrix res 0.00s 0.00s kinetic 9.00698174 @@ -10574,46 +13706,116 @@ nuclear-repulsion 2.08695652 total -7.63739591 -timer: Compute residual stu 0.02s 0.03s -timer: Apply BSH 0.36s 0.39s -timer: Truncate new psi 0.07s 0.08s +timer: Compute residual stu 0.02s 0.02s +timer: Apply BSH 0.34s 0.34s +timer: Truncate new psi 0.08s 0.08s residuals [1.876331e-02, 1.575521e-01] BSH residual: rms 1.121934e-01 max 1.575521e-01 -timer: BSH residual 0.04s 0.05s -timer: Update subspace stuf 0.07s 0.08s -timer: Subspace transform 0.03s 0.03s +timer: BSH residual 0.03s 0.03s +timer: Update subspace stuf 0.03s 0.03s +timer: Subspace transform 0.00s 0.00s Norm of vector changes alpha : rms 1.121934e-01 max 1.575521e-01 -timer: Orthonormalize 0.30s 0.33s +timer: Orthonormalize 0.12s 0.12s -Iteration 1 at time 33.6s +Iteration 1 at time 19.7s -timer: Pipek-Mezy new 0.02s 0.03s -timer: Make densities 0.08s 0.08s +timer: Pipek-Mezy new 0.04s 0.04s +timer: Make densities 0.03s 0.03s 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 0.05s 0.05s -timer: Coulomb -104287.87s 0.51s -timer: V*psi 0.07s 0.07s -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS: Hung queue? -!!MADNESS ERROR: Exception thrown in WorldTaskQueue::fence() with 204 pending task(s) -terminate called after throwing an instance of 'madness::MadnessException' - what(): ThreadPool::await() timed out after 900.0 seconds +timer: Nuclear energy 0.01s 0.01s +timer: Coulomb 0.30s 0.30s +timer: V*psi 0.06s 0.06s +timer: HF exchange 0.84s 0.84s +timer: Truncate Vpsi 0.01s 0.01s +timer: PE matrix 0.03s 0.03s +timer: KEmat reconstruct 0.04s 0.04s +timer: KEmat differentiate 0.04s 0.04s +timer: KEmat compress 0.04s 0.04s +timer: KEmat inner products 0.05s 0.05s +timer: KE matrix 0.18s 0.18s +timer: Make fock matrix res 0.00s 0.00s + + kinetic 8.68200342 + nonlocal psp 0.00000000 + nuclear attraction -22.65060635 + coulomb 6.45920160 + PCM 0.00000000 + exchange-correlation -2.26579154 + nuclear-repulsion 2.08695652 + total -7.68823635 + +timer: Overlap 0.04s 0.04s +timer: focka eigen sol 0.00s 0.00s + +alpha eigenvalues +[*] -2.49171330 -0.29970479 + + + Dipole Moment (a.u.) + ----------- + + x: 7.690476e-12 + y: 7.689366e-12 + z: -1.947957e+00 + Total Dipole Moment: 1.947957e+00 + +timer: dipole 0.02s 0.02s +Orbitals are localized - energies are diagonal Fock matrix elements + +Analysis of alpha MO vectors +timer: Analyze vectors 0.72s 0.72s +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 +total number of coefficients = 8.46720000e+04 + + MO 1 : occ=1.00 : energy= -0.34947112 : ncoeff=8.47e+04:center=(-0.00,-0.00,1.35) : radius=2.01 + H(1) s( 5) 0.612 Li(0) pz( 4) 0.365 Li(0) s( 1) 0.329 Li(0) s( 0)-0.191 +total number of coefficients = 1.69344000e+05 + +reading from aobasis STO-3G +result 0 -91% tests passed, 5 tests failed out of 56 +41% tests passed, 33 tests failed out of 56 -Total Test time (real) = 3395.40 sec +Total Test time (real) = 50537.82 sec The following tests FAILED: - 39 - mra-testpdiff (Subprocess aborted) - 47 - mra_sepop-testsuite (Failed) - 50 - chem-test_SCFOperators (Subprocess aborted) - 55 - chem-test_qc (Subprocess aborted) - 56 - chem-test_MolecularOrbitals (Subprocess aborted) + 2 - world-test_prof (Timeout) + 3 - world-test_ar (Timeout) + 4 - world-test_hashdc (Timeout) + 6 - world-test_atomicint (Timeout) + 7 - world-test_future (Timeout) + 9 - world-test_future3 (Timeout) + 10 - world-test_dc (Timeout) + 11 - world-test_hashthreaded (Timeout) + 12 - world-test_queue (Timeout) + 13 - world-test_world (Timeout) + 14 - world-test_worldprofile (Timeout) + 15 - world-test_binsorter (Timeout) + 18 - world-test_worldref (Timeout) + 21 - world-test_tree (Timeout) + 29 - tensor-test_distributed_matrix (Timeout) + 31 - tensor-test_systolic (Timeout) + 37 - mra-testbsh (Timeout) + 38 - mra-testproj (Timeout) + 39 - mra-testpdiff (Timeout) + 40 - mra-testdiff1Db (Timeout) + 41 - mra-testgconv (Timeout) + 42 - mra-testopdir (Timeout) + 43 - mra-testinnerext (Timeout) + 44 - mra-testgaxpyext (Timeout) + 45 - mra-testvmra (Timeout) + 47 - mra_sepop-testsuite (Timeout) + 50 - chem-test_SCFOperators (Timeout) + 51 - chem-test_dft (Timeout) + 52 - chem-test_pointgroupsymmetry (Timeout) + 53 - chem-test_masks_and_boxes (Timeout) + 54 - chem-test_QCCalculationParametersBase (Timeout) + 55 - chem-test_qc (Timeout) + 56 - chem-test_MolecularOrbitals (Timeout) Errors while running CTest make[2]: *** [Makefile:74: test] Error 8 make[2]: Leaving directory '/build/reproducible-path/madness-0.10.1+git20200818.eee5fd9f/obj-x86_64-linux-gnu' @@ -11332,12 +14534,14 @@ 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/784257/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/784257/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/720084 and its subdirectories -I: Current time: Mon Apr 29 21:06:09 -12 2024 -I: pbuilder-time-stamp: 1714467969 +I: removing directory /srv/workspace/pbuilder/784257 and its subdirectories +I: Current time: Tue Jun 3 19:36:16 +14 2025 +I: pbuilder-time-stamp: 1748928976