Diff of the two buildlogs:

--
--- b1/build.log	2024-02-03 00:16:28.712032320 +0000
+++ b2/build.log	2024-02-03 01:35:56.097746306 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Fri Feb  2 11:36:26 -12 2024
-I: pbuilder-time-stamp: 1706916986
+I: Current time: Fri Mar  7 20:39:46 +14 2025
+I: pbuilder-time-stamp: 1741329586
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/bullseye-reproducible-base.tgz]
 I: copying local configuration
@@ -18,7 +18,7 @@
 I: copying [./gromacs_2020.6-2.debian.tar.xz]
 I: Extracting source
 gpgv: unknown type of key resource 'trustedkeys.kbx'
-gpgv: keyblock resource '/tmp/dpkg-verify-sig.vxeNi1tm/trustedkeys.kbx': General error
+gpgv: keyblock resource '/tmp/dpkg-verify-sig.FjCWR8t8/trustedkeys.kbx': General error
 gpgv: Signature made Mon Mar 29 05:23:05 2021 
 gpgv:                using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F
 gpgv:                issuer "nbreen@debian.org"
@@ -39,49 +39,80 @@
 dpkg-source: info: applying mpi-tests-localhost.patch
 I: Not using root during the build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/463863/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/934917/tmp/hooks/D01_modify_environment starting
+debug: Running on codethink03-arm64.
+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 Mar  7 06:39 /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/934917/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/934917/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='arm64'
-  DEBIAN_FRONTEND='noninteractive'
+  BASH=/bin/sh
+  BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath
+  BASH_ALIASES=()
+  BASH_ARGC=()
+  BASH_ARGV=()
+  BASH_CMDS=()
+  BASH_LINENO=([0]="12" [1]="0")
+  BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+  BASH_VERSINFO=([0]="5" [1]="1" [2]="4" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu")
+  BASH_VERSION='5.1.4(1)-release'
+  BUILDDIR=/build/reproducible-path
+  BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+  BUILDUSERNAME=pbuilder2
+  BUILD_ARCH=arm64
+  DEBIAN_FRONTEND=noninteractive
   DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all,-fixfilepath parallel=12 '
-  DISTRIBUTION='bullseye'
-  HOME='/root'
-  HOST_ARCH='arm64'
+  DIRSTACK=()
+  DISTRIBUTION=bullseye
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=aarch64
+  HOST_ARCH=arm64
   IFS=' 	
   '
-  INVOCATION_ID='70036b5390c9482fb8eda779c9a098fa'
-  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='463863'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=30b18a718ec64bd3a16d718fb52aa901
+  LANG=C
+  LANGUAGE=nl_BE:nl
+  LC_ALL=C
+  MACHTYPE=aarch64-unknown-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=934917
   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.RLViRSCN/pbuilderrc_TTTJ --distribution bullseye --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.RLViRSCN/b1 --logfile b1/build.log gromacs_2020.6-2.dsc'
-  SUDO_GID='109'
-  SUDO_UID='104'
-  SUDO_USER='jenkins'
-  TERM='unknown'
-  TZ='/usr/share/zoneinfo/Etc/GMT+12'
-  USER='root'
-  _='/usr/bin/systemd-run'
-  http_proxy='http://192.168.101.104:3128'
+  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.RLViRSCN/pbuilderrc_ywIe --distribution bullseye --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/bullseye-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.RLViRSCN/b2 --logfile b2/build.log gromacs_2020.6-2.dsc'
+  SUDO_GID=109
+  SUDO_UID=104
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
+  http_proxy=http://192.168.101.104:3128
 I: uname -a
-  Linux codethink04-arm64 6.1.0-17-cloud-arm64 #1 SMP Debian 6.1.69-1 (2023-12-30) aarch64 GNU/Linux
+  Linux i-capture-the-hostname 6.1.0-17-cloud-arm64 #1 SMP Debian 6.1.69-1 (2023-12-30) aarch64 GNU/Linux
 I: ls -l /bin
   total 5252
   -rwxr-xr-x 1 root root 1282512 Mar 27  2022 bash
@@ -141,7 +172,7 @@
   -rwxr-xr-x 1 root root   43880 Sep 22  2020 rmdir
   -rwxr-xr-x 1 root root   19208 Sep 27  2020 run-parts
   -rwxr-xr-x 1 root root  114016 Dec 22  2018 sed
-  lrwxrwxrwx 1 root root       4 Jan  7 09:23 sh -> dash
+  lrwxrwxrwx 1 root root       9 Mar  7 06:39 sh -> /bin/bash
   -rwxr-xr-x 1 root root   35656 Sep 22  2020 sleep
   -rwxr-xr-x 1 root root   72640 Sep 22  2020 stty
   -rwsr-xr-x 1 root root   67776 Jan 20  2022 su
@@ -167,7 +198,7 @@
   -rwxr-xr-x 1 root root    2206 Apr 10  2022 zless
   -rwxr-xr-x 1 root root    1842 Apr 10  2022 zmore
   -rwxr-xr-x 1 root root    4577 Apr 10  2022 znew
-I: user script /srv/workspace/pbuilder/463863/tmp/hooks/D02_print_environment finished
+I: user script /srv/workspace/pbuilder/934917/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -528,7 +559,7 @@
 Get: 275 http://deb.debian.org/debian bullseye/main arm64 texlive-latex-recommended all 2020.20210202-3 [14.5 MB]
 Get: 276 http://deb.debian.org/debian bullseye/main arm64 texlive-pictures all 2020.20210202-3 [6743 kB]
 Get: 277 http://deb.debian.org/debian bullseye/main arm64 texlive-latex-extra all 2020.20210202-3 [13.7 MB]
-Fetched 233 MB in 3s (88.3 MB/s)
+Fetched 233 MB in 2s (132 MB/s)
 debconf: delaying package configuration, since apt-utils is not installed
 Selecting previously unselected package bsdextrautils.
 (Reading database ... 
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 17734 files and directories currently installed.)
@@ -1420,8 +1451,8 @@
 Setting up tzdata (2021a-1+deb11u10) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Fri Feb  2 23:37:09 UTC 2024.
-Universal Time is now:  Fri Feb  2 23:37:09 UTC 2024.
+Local time is now:      Fri Mar  7 06:41:23 UTC 2025.
+Universal Time is now:  Fri Mar  7 06:41:23 UTC 2025.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libgts-0.7-5:arm64 (0.7.6+darcs121130-4+b1) ...
@@ -1737,7 +1768,11 @@
 Building tag database...
  -> Finished parsing the build-deps
 I: Building the package
-I: Running cd /build/reproducible-path/gromacs-2020.6/ && 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  > ../gromacs_2020.6-2_source.changes
+I: user script /srv/workspace/pbuilder/934917/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for bullseye
+I: user script /srv/workspace/pbuilder/934917/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/gromacs-2020.6/ && 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  > ../gromacs_2020.6-2_source.changes
 dpkg-buildpackage: info: source package gromacs
 dpkg-buildpackage: info: source version 2020.6-2
 dpkg-buildpackage: info: source distribution unstable
@@ -3206,187 +3241,187 @@
 /usr/bin/make  -f CMakeFiles/Makefile2 all
 make[2]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend
-/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
+/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend
-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
-/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
+Scanning dependencies of target release-version-info
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color=
-Scanning dependencies of target release-version-info
+Scanning dependencies of target scanner
 Scanning dependencies of target lmfit_objlib
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build
-Scanning dependencies of target vmddlopen
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-Scanning dependencies of target scanner
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
 cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/basic/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/basic/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
 /usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
-Scanning dependencies of target linearalgebra
-/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
-Scanning dependencies of target tng_io_obj
 Scanning dependencies of target thread_mpi
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-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
-Scanning dependencies of target mdrun_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
+Scanning dependencies of target tng_io_obj
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+Scanning dependencies of target linearalgebra
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
 /usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
-Scanning dependencies of target view_objlib
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+[  0%] Built target release-version-info
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
+Scanning dependencies of target vmddlopen
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-Scanning dependencies of target modularsimulator
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
-/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp
+Scanning dependencies of target modularsimulator
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/3dview.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/3dview.cpp
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
-[  0%] Built target release-version-info
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/buttons.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/buttons.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[  0%] Built target vmddlopen
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/dialogs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/dialogs.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/fgrid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/fgrid.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/filter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/filter.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/logo.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/logo.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/comm.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[  1%] Built target mdrun_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/reduce.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[  3%] Built target view_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/buttons.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/buttons.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/nleg.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/nleg.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/nmol.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/nmol.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/popup.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/popup.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/pulldown.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/pulldown.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/view.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/view.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/x11.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/x11.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlg.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xdlg.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlghi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xdlghi.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[  5%] Built target thread_mpi
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlgitem.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xdlgitem.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xmb.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xmb.cpp
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-[  5%] Built target linearalgebra
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xutil.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[  6%] Built target view_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[  5%] Built target scanner
+[  8%] Built target linearalgebra
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[  8%] Built target thread_mpi
+[  8%] Built target scanner
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 [ 10%] Built target tng_io_obj
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
@@ -4164,30 +4199,30 @@
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 /usr/bin/make  -f share/template/CMakeFiles/template.dir/build.make share/template/CMakeFiles/template.dir/depend
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color=
-Scanning dependencies of target release-version-info
-Scanning dependencies of target lmfit_objlib
-Scanning dependencies of target vmddlopen
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+Scanning dependencies of target lmfit_objlib
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
 /usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build
-/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-Scanning dependencies of target scanner
-cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/basic-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/basic-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp
-Scanning dependencies of target mdrun_objlib
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 Scanning dependencies of target linearalgebra
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/basic-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/basic-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+Scanning dependencies of target thread_mpi
 Scanning dependencies of target tng_io_obj
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-Scanning dependencies of target thread_mpi
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+Scanning dependencies of target modularsimulator
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+Scanning dependencies of target vmddlopen
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+Scanning dependencies of target mdrun_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp
+[  0%] Built target release-version-info
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color=
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-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/fgrid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/fgrid.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
-[  0%] Built target lmfit_objlib
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-[  0%] Built target mdrun_objlib
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlg.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xdlg.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlghi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xdlghi.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlgitem.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xdlgitem.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[  0%] Built target mdrun_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xmb.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xmb.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/xutil.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[  0%] Built target linearalgebra
+[  1%] Built target view_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[  1%] Built target view_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[  1%] Built target linearalgebra
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[  3%] Built target scanner
+[  5%] Built target thread_mpi
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[  6%] Built target thread_mpi
+[  6%] Built target scanner
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [  8%] Built target tng_io_obj
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
@@ -5180,8 +5215,8 @@
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 98%] Built target libgromacs
 /usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend
-/usr/bin/make  -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake --color=
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/CMakeFiles/gmxapi.dir/DependInfo.cmake --color=
@@ -5190,10 +5225,10 @@
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmx.dir/gmx.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/gmx.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmx.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/legacymodules.cpp
 Scanning dependencies of target gmxapi
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 /usr/bin/make  -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmx.dir/legacymodules.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/legacymodules.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/context.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/context.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/exceptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/exceptions.cpp
@@ -5229,94 +5264,94 @@
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-/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
+/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
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-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest /build/reproducible-path/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
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-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
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+make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
+/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/basic/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/basic/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
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+[  0%] Built target scanner
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+[  0%] Built target lmfit_objlib
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-cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/basic/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/basic/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'.
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+[  0%] Built target release-version-info
+[  2%] Built target thread_mpi
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
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+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
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+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
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+/usr/bin/make  -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/depend
+make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest /build/reproducible-path/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color=
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
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+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
+make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[  4%] Built target linearalgebra
 Scanning dependencies of target gtest
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+make[4]: Nothing to be done for 'src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build'.
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-[  2%] Built target thread_mpi
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_CREATE_SHARED_LIBRARY=1 -Dgtest_EXPORTS -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -I/build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=c++14 -o CMakeFiles/gtest.dir/src/gtest-all.cc.o -c /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/src/gtest-all.cc
-[  2%] Built target scanner
-[  2%] Built target lmfit_objlib
-[  4%] Built target linearalgebra
-[  4%] Built target tng_io_obj
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
 [  5%] Built target modularsimulator
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 [  5%] Built target vmddlopen
-[  5%] Built target release-version-info
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 [  7%] Built target mdrun_objlib
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color=
@@ -5387,140 +5422,161 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/DependInfo.cmake --color=
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+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake --color=
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 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/DependInfo.cmake --color=
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+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target testutils-mpi-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build
+Scanning dependencies of target mdrun_test_infrastructure
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/mpitest.cpp
+/usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build
+Scanning dependencies of target testutils-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/energyreader.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/interactivetest.cpp
 Scanning dependencies of target utility-mpi-test
+/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/energycomparison.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color=
 /usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build
-Scanning dependencies of target testutils-mpi-test
-Scanning dependencies of target onlinehelp-test-shared
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/moduletest.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
+Scanning dependencies of target mdlib-test
+Scanning dependencies of target applied_forces-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp
+Scanning dependencies of target onlinehelp-test-shared
+/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build
+Scanning dependencies of target utility-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build
-Scanning dependencies of target testutils-test
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-Scanning dependencies of target mdrun_test_infrastructure
-/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test  ../../../lib/libtestutils.a ../../../lib/libgromacs.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 69%] Built target testutils-mpi-test
+/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/mpitest.cpp
-Scanning dependencies of target applied_forces-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/mdmodulenotification.cpp
 Scanning dependencies of target domdec-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/terminationhelper.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 69%] Built target utility-mpi-test
+/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/interactivetest.cpp
-/usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build
-Scanning dependencies of target fft-test
-/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target ewald-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/energyreader.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectorycomparison.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectoryreader.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o
+/usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
+[ 69%] Built target onlinehelp-test-shared
+/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp
-/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build
-Scanning dependencies of target mdlib-test
-Scanning dependencies of target gpu_utils-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target fft-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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+/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp
+Scanning dependencies of target gpu_utils-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-Scanning dependencies of target utility-test
+/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp
-/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/energycomparison.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 69%] Built target utility-mpi-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
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 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1
 Scanning dependencies of target hardware-test
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-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test  ../../../lib/libtestutils.a ../../../lib/libgromacs.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread 
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 69%] Built target testutils-mpi-test
+[ 69%] Built target domdec-test
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
 Scanning dependencies of target math-test
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o
-/usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 69%] Built target onlinehelp-test-shared
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+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libgromacs.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color=
@@ -5529,40 +5585,33 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-[ 69%] Built target fft-test
+[ 70%] Built target testutils-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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+[ 70%] Built target fft-test
+/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target mdspan-test
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/moduletest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color=
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 70%] Built target hardware-test
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 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color=
@@ -5571,72 +5620,65 @@
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 70%] Built target mdrunutility-test-shared
+[ 71%] Built target hardware-test
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp
 Scanning dependencies of target pbcutil-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests/pbcenums.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/terminationhelper.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o
+/usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 70%] Built target pbcutil-test
+[ 71%] Built target mdrunutility-test-shared
 /usr/bin/make  -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectorycomparison.cpp
 Scanning dependencies of target random-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests/pbcenums.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 70%] Built target onlinehelp-test
+[ 71%] Built target pbcutil-test
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 Scanning dependencies of target restraintpotential-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libgromacs.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 71%] Built target testutils-test
+[ 71%] Built target onlinehelp-test
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color=
@@ -5645,27 +5687,29 @@
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
-[ 72%] Built target applied_forces-test
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 71%] Built target restraintpotential-test
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color=
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 Scanning dependencies of target taskassignment-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectoryreader.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 72%] Built target restraintpotential-test
+[ 72%] Built target applied_forces-test
 /usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests/CMakeFiles/topology-test.dir/DependInfo.cmake --color=
@@ -5674,12 +5718,23 @@
 /usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o
-/usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
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+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 72%] Built target mdrun_test_infrastructure
+[ 72%] Built target gpu_utils-test
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color=
@@ -5688,31 +5743,26 @@
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp
-[ 72%] Built target gpu_utils-test
+[ 72%] Built target taskassignment-test
 /usr/bin/make  -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 Scanning dependencies of target awh-test
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 /usr/bin/make  -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build
-[ 72%] Built target pull-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 74%] Built target topology-test
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color=
@@ -5721,16 +5771,11 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/seed.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/base.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 72%] Built target taskassignment-test
+[ 74%] Built target pull-test
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color=
@@ -5739,50 +5784,59 @@
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/option.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 74%] Built target topology-test
+[ 74%] Built target table-test
 /usr/bin/make  -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp
 Scanning dependencies of target gmxana-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/entropy.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests/entropy.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/functions.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmetestcommon.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/option.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_mindist.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-[ 74%] Built target table-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_mindist.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 74%] Built target mdspan-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target pdb2gmx3-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 74%] Built target mdspan-test
+[ 74%] Built target awh-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/DependInfo.cmake --color=
@@ -5792,43 +5846,47 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_msd.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/ewald-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformrealdistribution.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 [ 74%] Built target ewald-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 Scanning dependencies of target pdb2gmx1-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxana-test.dir/entropy.cpp.o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxana-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 [ 75%] Built target gmxana-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
 Scanning dependencies of target gmxpreprocess-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/editconf.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx3-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx3-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 75%] Built target awh-test
+[ 75%] Built target pdb2gmx3-test
 /usr/bin/make  -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/DependInfo.cmake --color=
@@ -5837,18 +5895,18 @@
 /usr/bin/make  -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/autocorr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/autocorr.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformrealdistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx3-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx2-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 75%] Built target pdb2gmx3-test
+[ 76%] Built target random-test
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/DependInfo.cmake --color=
@@ -5858,7 +5916,7 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/datatest.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 76%] Built target pdb2gmx2-test
+[ 77%] Built target pdb2gmx2-test
 /usr/bin/make  -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/DependInfo.cmake --color=
@@ -5867,15 +5925,15 @@
 /usr/bin/make  -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/builder.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/builder.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx1-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/correlationdataset.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/expfit.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genconf.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/path.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 77%] Built target random-test
+[ 77%] Built target pdb2gmx1-test
 /usr/bin/make  -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/energyanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/DependInfo.cmake --color=
@@ -5884,20 +5942,18 @@
 /usr/bin/make  -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/energyanalysis/tests/legacyenergy.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/expfit.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/invertmatrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/invertmatrix.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genion.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp
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+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/energyanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/mock_datamodule.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx1-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 77%] Built target pdb2gmx1-test
+[ 78%] Built target energyanalysis-test
 /usr/bin/make  -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/tools/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests/CMakeFiles/tool-test.dir/DependInfo.cmake --color=
@@ -5906,26 +5962,44 @@
 /usr/bin/make  -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/dump.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tools/tests/dump.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp
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-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/energyanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/outputadapters.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/correlations-test.dir/autocorr.cpp.o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o CMakeFiles/correlations-test.dir/expfit.cpp.o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/correlations-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genrestr.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/requirements.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/requirements.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 78%] Built target energyanalysis-test
+[ 78%] Built target correlations-test
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp
 Scanning dependencies of target fileio-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 78%] Built target correlations-test
+[ 78%] Built target analysisdata-test-shared
 /usr/bin/make  -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake --color=
@@ -5934,26 +6008,9 @@
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/gpp_bond_atomtype.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/insert_molecules.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 78%] Built target compat-test
+[ 80%] Built target options-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/DependInfo.cmake --color=
@@ -5962,70 +6019,41 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/densityfittingmodule.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymap.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/readir.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/tool-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/interactiveMD.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 78%] Built target tool-test
+[ 80%] Built target compat-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/DependInfo.cmake --color=
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target mdrun-tpi-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/tpitest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/interactiveMD.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -P CMakeFiles/analysisdata-test-shared.dir/cmake_clean_target.cmake
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-/usr/bin/ar qc ../../../../lib/libanalysisdata-test-shared.a CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp
-/usr/bin/ranlib ../../../../lib/libanalysisdata-test-shared.a
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 78%] Built target analysisdata-test-shared
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/solvate.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/defaultinitializationallocator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroupscog.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/topdirs.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/requirements.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/requirements.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/dispersion_correction.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/orires.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/orires.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-[ 80%] Built target gmxpreprocess-test
+[ 81%] Built target tool-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/DependInfo.cmake --color=
@@ -6034,9 +6062,30 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/compressed_x_output.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/helpwriting.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/outputfiles.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 81%] Built target mdlib-test
+[ 81%] Built target mdrun-modules-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectory_writing.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/solvate.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/simulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/simulator.cpp
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 81%] Built target mdrun-tpi-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/DependInfo.cmake --color=
@@ -6045,15 +6094,15 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/pmetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/topdirs.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxpreprocess-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp
-[ 81%] Built target mdrun-modules-test
+[ 82%] Built target gmxpreprocess-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/DependInfo.cmake --color=
@@ -6062,35 +6111,32 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/domain_decomposition.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/setbothtime.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/settimestep.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/testmodule.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-output-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 82%] Built target options-test
+[ 83%] Built target mdrun-output-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp
 Scanning dependencies of target mdrun-io-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/helpwriting.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/exactcontinuation.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4_math.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/simulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/simulator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/outputfiles.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/setstarttime.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_util.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/fileio-test.dir/confio.cpp.o CMakeFiles/fileio-test.dir/filemd5.cpp.o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o CMakeFiles/fileio-test.dir/readinp.cpp.o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o CMakeFiles/fileio-test.dir/tngio.cpp.o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fileio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/coordinateio-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/coordinateio-test.dir/builder.cpp.o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o CMakeFiles/coordinateio-test.dir/requirements.cpp.o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/coordinateio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 83%] Built target fileio-test
+[ 84%] Built target coordinateio-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/DependInfo.cmake --color=
@@ -6099,26 +6145,8 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/periodicactions.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/settimestep.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectory_writing.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/coordinateio-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/coordinateio-test.dir/builder.cpp.o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o CMakeFiles/coordinateio-test.dir/requirements.cpp.o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/coordinateio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/mimic.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/multisim.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/swapcoords.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp
-[ 84%] Built target coordinateio-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/DependInfo.cmake --color=
@@ -6127,13 +6155,12 @@
 /usr/bin/make  -f src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/restraint.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 85%] Built target mdrun-output-test
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 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 87%] Built target simd-test
+[ 85%] Built target mdrun-test
 /usr/bin/make  -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/tabulated_bonded_interactions.cpp
 Scanning dependencies of target workflow-details-mpi-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/rerun.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-coordination-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/status.cpp
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-coordination-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/status.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/status.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 87%] Built target mdrun-mpi-coordination-test
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 /usr/bin/make  -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/DependInfo.cmake --color=
@@ -6172,50 +6209,46 @@
 /usr/bin/make  -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-test.dir/workflow.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o CMakeFiles/mdrun-test.dir/orires.cpp.o CMakeFiles/mdrun-test.dir/pmetest.cpp.o CMakeFiles/mdrun-test.dir/simulator.cpp.o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/multisim.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/runner.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-mpi-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/system.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/system.cpp
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-mpi-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 87%] Built target mdrun-test
+[ 88%] Built target workflow-details-mpi-test
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-coordination-test.dir/link.txt --verbose=1
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/version.cpp
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-coordination-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 Scanning dependencies of target commandline-test
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/grompp.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 87%] Built target workflow-details-mpi-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/runner.cpp
+[ 88%] Built target mdrun-mpi-coordination-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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 Scanning dependencies of target mdrunutility-mpi-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/termination.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4_vector_operations.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/version.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/initialconstraints.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-test.dir/workflow.cpp.o CMakeFiles/workflow-details-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 88%] Built target math-test
+[ 89%] Built target workflow-details-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color=
@@ -6224,6 +6257,17 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 90%] Built target math-test
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/DependInfo.cmake --color=
@@ -6232,112 +6276,103 @@
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/analysisdata.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
-[ 89%] Built target workflow-details-test
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+[ 90%] Built target mdrun-non-integrator-test
 /usr/bin/make  -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 Scanning dependencies of target trajectoryanalysis-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 /usr/bin/make  -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/moduletest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/runner.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 90%] Built target mdrun-mpi-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/simple_mdrun.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/runner.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/path.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/termination.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/cmdlinerunner.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp
 [ 90%] Built target mdrunutility-mpi-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 91%] Built target mdrun-io-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/cmdlinerunner.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-test.dir/status.cpp.o CMakeFiles/gmxapi-test.dir/system.cpp.o CMakeFiles/gmxapi-test.dir/version.cpp.o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-test.dir/runner.cpp.o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp
-[ 92%] Built target mdrunutility-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/angle.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 92%] Built target mdrun-non-integrator-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp
+[ 90%] Built target gmxapi-mpi-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/convert_trj.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/distance.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 91%] Built target mdrunutility-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-mpi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 92%] Built target gmxapi-mpi-test
+[ 92%] Built target gmxapi-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 94%] Built target mdrun-mpi-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/distance.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/extract_cluster.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_util.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/pairdist.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-test.dir/status.cpp.o CMakeFiles/gmxapi-test.dir/system.cpp.o CMakeFiles/gmxapi-test.dir/version.cpp.o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-test.dir/runner.cpp.o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/rdf.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 94%] Built target gmxapi-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/sasa.cpp
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+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o CMakeFiles/mdrun-io-test.dir/termination.cpp.o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-io-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/select.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/topologyinformation.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/trajectory.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 95%] Built target selection-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
+[ 95%] Built target mdrun-io-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/trajectory.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/unionfind.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/arraydata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/average.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/histogram.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/histogram.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/lifetime.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 97%] Built target utility-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[ 98%] Built target commandline-test
+[ 96%] Built target commandline-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[ 97%] Built target simd-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryanalysis-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[100%] Built target trajectoryanalysis-test
+[ 98%] Built target trajectoryanalysis-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
-[100%] Built target analysisdata-test
+[ 98%] Built target analysisdata-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic'
+[100%] Built target selection-test
 /usr/bin/make  -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic'
 cd /build/reproducible-path/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic /build/reproducible-path/gromacs-2020.6/build/basic/CMakeFiles/tests.dir/DependInfo.cmake --color=
@@ -6373,30 +6408,30 @@
 1: [----------] Global test environment set-up.
 1: [----------] 10 tests from InteractiveTestHelperTest
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSimpleSession
-1: [       OK ] InteractiveTestHelperTest.ChecksSimpleSession (1 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSimpleSession (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline
-1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (0 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (1 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput
-1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput
 1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsIncorrectOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsIncorrectOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingOutput
-1: [       OK ] InteractiveTestHelperTest.DetectsMissingOutput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.DetectsMissingOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingFinalOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsExtraOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingInput
-1: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraInput
 1: [       OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms)
-1: [----------] 10 tests from InteractiveTestHelperTest (4 ms total)
+1: [----------] 10 tests from InteractiveTestHelperTest (1 ms total)
 1: 
 1: [----------] 34 tests from ReferenceDataTest
 1: [ RUN      ] ReferenceDataTest.HandlesSimpleData
-1: [       OK ] ReferenceDataTest.HandlesSimpleData (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesSimpleData (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesFloatingPointData
 1: [       OK ] ReferenceDataTest.HandlesFloatingPointData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesPresenceChecks
@@ -6404,7 +6439,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesStringBlockData
 1: [       OK ] ReferenceDataTest.HandlesStringBlockData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesVectorData
-1: [       OK ] ReferenceDataTest.HandlesVectorData (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesVectorData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceData
 1: [       OK ] ReferenceDataTest.HandlesSequenceData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceOfCustomData
@@ -6412,9 +6447,9 @@
 1: [ RUN      ] ReferenceDataTest.HandlesIncorrectData
 1: [       OK ] ReferenceDataTest.HandlesIncorrectData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesIncorrectDataType
-1: [       OK ] ReferenceDataTest.HandlesIncorrectDataType (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesIncorrectDataType (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMissingData
-1: [       OK ] ReferenceDataTest.HandlesMissingData (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesMissingData (8 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUncheckedData
 1: [       OK ] ReferenceDataTest.HandlesUncheckedData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUncheckedDataInSequence
@@ -6422,9 +6457,9 @@
 1: [ RUN      ] ReferenceDataTest.HandlesUncheckedDataInCompound
 1: [       OK ] ReferenceDataTest.HandlesUncheckedDataInCompound (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesAnys
-1: [       OK ] ReferenceDataTest.HandlesAnys (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesAnys (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTree
-1: [       OK ] ReferenceDataTest.HandlesKeyValueTree (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesKeyValueTree (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTreeExtraKey
 1: [       OK ] ReferenceDataTest.HandlesKeyValueTreeExtraKey (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTreeMissingKey
@@ -6436,7 +6471,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesMissingReferenceDataFile
 1: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSpecialCharactersInStrings
-1: [       OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace
 1: [       OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesEmptyStrings
@@ -6454,7 +6489,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesReadingValues
 1: [       OK ] ReferenceDataTest.HandlesReadingValues (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges
-1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges
@@ -6463,7 +6498,7 @@
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms)
-1: [----------] 34 tests from ReferenceDataTest (6 ms total)
+1: [----------] 34 tests from ReferenceDataTest (11 ms total)
 1: 
 1: [----------] 7 tests from FloatingPointDifferenceTest
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesEqualValues
@@ -6473,14 +6508,14 @@
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign
 1: [       OK ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign (0 ms)
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero
-1: [       OK ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero (1 ms)
+1: [       OK ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero (0 ms)
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesUlpDifferences
 1: [       OK ] FloatingPointDifferenceTest.HandlesUlpDifferences (0 ms)
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero
 1: [       OK ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero (0 ms)
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesNaN
 1: [       OK ] FloatingPointDifferenceTest.HandlesNaN (0 ms)
-1: [----------] 7 tests from FloatingPointDifferenceTest (1 ms total)
+1: [----------] 7 tests from FloatingPointDifferenceTest (0 ms total)
 1: 
 1: [----------] 4 tests from FloatingPointToleranceTest
 1: [ RUN      ] FloatingPointToleranceTest.UlpTolerance
@@ -6497,17 +6532,17 @@
 1: [ RUN      ] XvgTests.CreateFile
 1: [       OK ] XvgTests.CreateFile (0 ms)
 1: [ RUN      ] XvgTests.CheckMissing
-1: [       OK ] XvgTests.CheckMissing (0 ms)
+1: [       OK ] XvgTests.CheckMissing (1 ms)
 1: [ RUN      ] XvgTests.CheckExtra
-1: [       OK ] XvgTests.CheckExtra (1 ms)
+1: [       OK ] XvgTests.CheckExtra (0 ms)
 1: [ RUN      ] XvgTests.ReadIncorrect
 1: [       OK ] XvgTests.ReadIncorrect (0 ms)
 1: [----------] 4 tests from XvgTests (1 ms total)
 1: 
 1: [----------] Global test environment tear-down
-1: [==========] 59 tests from 5 test cases ran. (12 ms total)
+1: [==========] 59 tests from 5 test cases ran. (13 ms total)
 1: [  PASSED  ] 59 tests.
- 1/54 Test  #1: TestUtilsUnitTests ..................   Passed    0.04 sec
+ 1/54 Test  #1: TestUtilsUnitTests ..................   Passed    0.06 sec
 test 2
       Start  2: TestUtilsMpiUnitTests
 
@@ -6517,13 +6552,13 @@
 2: [----------] Global test environment set-up.
 2: [----------] 1 test from MpiSelfTest
 2: [ RUN      ] MpiSelfTest.Runs
-2: [       OK ] MpiSelfTest.Runs (1 ms)
-2: [----------] 1 test from MpiSelfTest (1 ms total)
+2: [       OK ] MpiSelfTest.Runs (23 ms)
+2: [----------] 1 test from MpiSelfTest (23 ms total)
 2: 
 2: [----------] Global test environment tear-down
-2: [==========] 1 test from 1 test case ran. (1 ms total)
+2: [==========] 1 test from 1 test case ran. (23 ms total)
 2: [  PASSED  ] 1 test.
- 2/54 Test  #2: TestUtilsMpiUnitTests ...............   Passed    0.02 sec
+ 2/54 Test  #2: TestUtilsMpiUnitTests ...............   Passed    0.05 sec
 test 3
       Start  3: UtilityUnitTests
 
@@ -6561,14 +6596,14 @@
 3: [ RUN      ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment
 3: [       OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms)
 3: [ RUN      ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment
-3: [       OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (1 ms)
+3: [       OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms)
 3: [ RUN      ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment
 3: [       OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms)
 3: [ RUN      ] AllocatorTest/2.Move
 3: [       OK ] AllocatorTest/2.Move (0 ms)
 3: [ RUN      ] AllocatorTest/2.StatelessAllocatorUsesNoMemory
 3: [       OK ] AllocatorTest/2.StatelessAllocatorUsesNoMemory (0 ms)
-3: [----------] 5 tests from AllocatorTest/2 (1 ms total)
+3: [----------] 5 tests from AllocatorTest/2 (0 ms total)
 3: 
 3: [----------] 5 tests from AllocatorTest/3, where TypeParam = gmx::Allocator<int, gmx::PageAlignedAllocationPolicy>
 3: [ RUN      ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment
@@ -6594,7 +6629,7 @@
 3: [       OK ] AllocatorTest/4.Move (0 ms)
 3: [ RUN      ] AllocatorTest/4.StatelessAllocatorUsesNoMemory
 3: [       OK ] AllocatorTest/4.StatelessAllocatorUsesNoMemory (0 ms)
-3: [----------] 5 tests from AllocatorTest/4 (0 ms total)
+3: [----------] 5 tests from AllocatorTest/4 (4 ms total)
 3: 
 3: [----------] 5 tests from AllocatorTest/5, where TypeParam = gmx::Allocator<gmx::BasicVector<float>, gmx::PageAlignedAllocationPolicy>
 3: [ RUN      ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment
@@ -6643,7 +6678,7 @@
 3: [       OK ] ArrayRefTest/0.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/0 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/0 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef<unsigned char>
 3: [ RUN      ] ArrayRefTest/1.MakeWithAssignmentWorks
@@ -6685,7 +6720,7 @@
 3: [       OK ] ArrayRefTest/2.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/2 (0 ms total)
+3: [----------] 9 tests from ArrayRefTest/2 (1 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef<unsigned int>
 3: [ RUN      ] ArrayRefTest/3.MakeWithAssignmentWorks
@@ -6911,12 +6946,12 @@
 3: [ RUN      ] ArrayRefTest/13.ConstructFromNonConstPointersWorks
 3: [       OK ] ArrayRefTest/13.ConstructFromNonConstPointersWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/13.ConstructFromVectorWorks
-3: [       OK ] ArrayRefTest/13.ConstructFromVectorWorks (1 ms)
+3: [       OK ] ArrayRefTest/13.ConstructFromVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/13.ConstructFromNonConstVectorWorks
 3: [       OK ] ArrayRefTest/13.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/13 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/13 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/14, where TypeParam = gmx::ArrayRef<long const>
 3: [ RUN      ] ArrayRefTest/14.MakeWithAssignmentWorks
@@ -7101,7 +7136,7 @@
 3: [       OK ] InMemorySerializerTest.DeserializerExplicitEndianessSwap (0 ms)
 3: [ RUN      ] InMemorySerializerTest.SizeIsCorrect
 3: [       OK ] InMemorySerializerTest.SizeIsCorrect (0 ms)
-3: [----------] 5 tests from InMemorySerializerTest (1 ms total)
+3: [----------] 5 tests from InMemorySerializerTest (0 ms total)
 3: 
 3: [----------] 4 tests from KeyValueTreeSerializerTest
 3: [ RUN      ] KeyValueTreeSerializerTest.EmptyTree
@@ -7112,13 +7147,13 @@
 3: [       OK ] KeyValueTreeSerializerTest.ObjectWithArrays (0 ms)
 3: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithObjects
 3: [       OK ] KeyValueTreeSerializerTest.ObjectWithObjects (0 ms)
-3: [----------] 4 tests from KeyValueTreeSerializerTest (0 ms total)
+3: [----------] 4 tests from KeyValueTreeSerializerTest (1 ms total)
 3: 
 3: [----------] 6 tests from TreeValueTransformTest
 3: [ RUN      ] TreeValueTransformTest.SimpleTransforms
 3: [       OK ] TreeValueTransformTest.SimpleTransforms (0 ms)
 3: [ RUN      ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive
-3: [       OK ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive (1 ms)
+3: [       OK ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive (0 ms)
 3: [ RUN      ] TreeValueTransformTest.SimpleTransformsToObject
 3: [       OK ] TreeValueTransformTest.SimpleTransformsToObject (0 ms)
 3: [ RUN      ] TreeValueTransformTest.ObjectFromString
@@ -7127,12 +7162,12 @@
 3: [       OK ] TreeValueTransformTest.ObjectFromMultipleStrings (0 ms)
 3: [ RUN      ] TreeValueTransformTest.ScopedTransformRules
 3: [       OK ] TreeValueTransformTest.ScopedTransformRules (0 ms)
-3: [----------] 6 tests from TreeValueTransformTest (1 ms total)
+3: [----------] 6 tests from TreeValueTransformTest (0 ms total)
 3: 
 3: [----------] 1 test from TreeValueTransformErrorTest
 3: [ RUN      ] TreeValueTransformErrorTest.ConversionError
-3: [       OK ] TreeValueTransformErrorTest.ConversionError (1 ms)
-3: [----------] 1 test from TreeValueTransformErrorTest (1 ms total)
+3: [       OK ] TreeValueTransformErrorTest.ConversionError (0 ms)
+3: [----------] 1 test from TreeValueTransformErrorTest (0 ms total)
 3: 
 3: [----------] 7 tests from LoggerTest
 3: [ RUN      ] LoggerTest.EmptyLoggerWorks
@@ -7164,19 +7199,19 @@
 3: 
 3: [----------] 3 tests from MutexTaskTest
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithLock
-3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (0 ms)
+3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (13 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread
-3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (0 ms)
+3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (16 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread
 3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms)
-3: [----------] 3 tests from MutexTaskTest (0 ms total)
+3: [----------] 3 tests from MutexTaskTest (29 ms total)
 3: 
 3: [----------] 2 tests from PathTest
 3: [ RUN      ] PathTest.StripSourcePrefixWorks
 3: [       OK ] PathTest.StripSourcePrefixWorks (0 ms)
 3: [ RUN      ] PathTest.SearchOperationsWork
-3: [       OK ] PathTest.SearchOperationsWork (1 ms)
-3: [----------] 2 tests from PathTest (1 ms total)
+3: [       OK ] PathTest.SearchOperationsWork (0 ms)
+3: [----------] 2 tests from PathTest (0 ms total)
 3: 
 3: [----------] 2 tests from PhysicalNodeCommunicatorTest
 3: [ RUN      ] PhysicalNodeCommunicatorTest.CanConstruct
@@ -7195,7 +7230,7 @@
 3: [ RUN      ] StringUtilityTest.StripString
 3: [       OK ] StringUtilityTest.StripString (0 ms)
 3: [ RUN      ] StringUtilityTest.SplitString
-3: [       OK ] StringUtilityTest.SplitString (0 ms)
+3: [       OK ] StringUtilityTest.SplitString (1 ms)
 3: [ RUN      ] StringUtilityTest.SplitDelimitedString
 3: [       OK ] StringUtilityTest.SplitDelimitedString (0 ms)
 3: [ RUN      ] StringUtilityTest.SplitAndTrimDelimitedString
@@ -7204,7 +7239,7 @@
 3: [       OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms)
 3: [ RUN      ] StringUtilityTest.CanCompareCaseInsensitiveInLength
 3: [       OK ] StringUtilityTest.CanCompareCaseInsensitiveInLength (0 ms)
-3: [----------] 9 tests from StringUtilityTest (0 ms total)
+3: [----------] 9 tests from StringUtilityTest (1 ms total)
 3: 
 3: [----------] 2 tests from FormatStringTest
 3: [ RUN      ] FormatStringTest.HandlesBasicFormatting
@@ -7241,7 +7276,7 @@
 3: [       OK ] ReplaceAllTest.HandlesWordBoundaries (0 ms)
 3: [ RUN      ] ReplaceAllTest.HandlesPossibleRecursiveMatches
 3: [       OK ] ReplaceAllTest.HandlesPossibleRecursiveMatches (0 ms)
-3: [----------] 6 tests from ReplaceAllTest (1 ms total)
+3: [----------] 6 tests from ReplaceAllTest (0 ms total)
 3: 
 3: [----------] 10 tests from TextLineWrapperTest
 3: [ RUN      ] TextLineWrapperTest.HandlesEmptyStrings
@@ -7272,14 +7307,14 @@
 3: [ RUN      ] TextWriterTest.WritesLinesInParts
 3: [       OK ] TextWriterTest.WritesLinesInParts (0 ms)
 3: [ RUN      ] TextWriterTest.WritesWrappedLines
-3: [       OK ] TextWriterTest.WritesWrappedLines (1 ms)
+3: [       OK ] TextWriterTest.WritesWrappedLines (0 ms)
 3: [ RUN      ] TextWriterTest.WritesLinesInPartsWithWrapper
 3: [       OK ] TextWriterTest.WritesLinesInPartsWithWrapper (0 ms)
 3: [ RUN      ] TextWriterTest.TracksNewlines
 3: [       OK ] TextWriterTest.TracksNewlines (0 ms)
 3: [ RUN      ] TextWriterTest.PreservesTrailingWhitespace
 3: [       OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms)
-3: [----------] 6 tests from TextWriterTest (1 ms total)
+3: [----------] 6 tests from TextWriterTest (0 ms total)
 3: 
 3: [----------] 1 test from TypeTraitsTest
 3: [ RUN      ] TypeTraitsTest.IsIntegralConstant
@@ -7357,24 +7392,24 @@
 3: 
 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (15 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (1 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms)
-3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total)
+3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (95 ms total)
 3: 
 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0
@@ -7388,15 +7423,15 @@
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4
 3: [       OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 (0 ms)
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5
-3: [       OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 (1 ms)
+3: [       OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 (0 ms)
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6
 3: [       OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 (0 ms)
-3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (1 ms total)
+3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total)
 3: 
 3: [----------] Global test environment tear-down
-3: [==========] 347 tests from 56 test cases ran. (12 ms total)
+3: [==========] 347 tests from 56 test cases ran. (132 ms total)
 3: [  PASSED  ] 347 tests.
- 3/54 Test  #3: UtilityUnitTests ....................   Passed    0.04 sec
+ 3/54 Test  #3: UtilityUnitTests ....................   Passed    0.17 sec
 test 4
       Start  4: UtilityMpiUnitTests
 
@@ -7406,15 +7441,15 @@
 4: [----------] Global test environment set-up.
 4: [----------] 2 tests from PhysicalNodeCommunicatorTest
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanConstruct
-4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (1 ms)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (52 ms)
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanCallBarrier
-4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (1 ms)
-4: [----------] 2 tests from PhysicalNodeCommunicatorTest (2 ms total)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (44 ms)
+4: [----------] 2 tests from PhysicalNodeCommunicatorTest (96 ms total)
 4: 
 4: [----------] Global test environment tear-down
-4: [==========] 2 tests from 1 test case ran. (2 ms total)
+4: [==========] 2 tests from 1 test case ran. (96 ms total)
 4: [  PASSED  ] 2 tests.
- 4/54 Test  #4: UtilityMpiUnitTests .................   Passed    0.02 sec
+ 4/54 Test  #4: UtilityMpiUnitTests .................   Passed    0.13 sec
 test 5
       Start  5: MdlibUnitTest
 
@@ -7429,10 +7464,10 @@
 5: 
 5: [----------] 2 tests from PrEbinTest
 5: [ RUN      ] PrEbinTest.HandlesAverages
-5: [       OK ] PrEbinTest.HandlesAverages (1 ms)
+5: [       OK ] PrEbinTest.HandlesAverages (0 ms)
 5: [ RUN      ] PrEbinTest.HandlesEmptyAverages
 5: [       OK ] PrEbinTest.HandlesEmptyAverages (0 ms)
-5: [----------] 2 tests from PrEbinTest (1 ms total)
+5: [----------] 2 tests from PrEbinTest (0 ms total)
 5: 
 5: [----------] 4 tests from ShakeTest
 5: [ RUN      ] ShakeTest.ConstrainsOneBond
@@ -7469,7 +7504,7 @@
 5: 
 5: [----------] 9 tests from UpdateGroups
 5: [ RUN      ] UpdateGroups.ethaneUA
-5: [       OK ] UpdateGroups.ethaneUA (1 ms)
+5: [       OK ] UpdateGroups.ethaneUA (0 ms)
 5: [ RUN      ] UpdateGroups.methane
 5: [       OK ] UpdateGroups.methane (0 ms)
 5: [ RUN      ] UpdateGroups.ethane
@@ -7486,7 +7521,7 @@
 5: [       OK ] UpdateGroups.waterFlexAngle (0 ms)
 5: [ RUN      ] UpdateGroups.twoMoltypes
 5: [       OK ] UpdateGroups.twoMoltypes (0 ms)
-5: [----------] 9 tests from UpdateGroups (1 ms total)
+5: [----------] 9 tests from UpdateGroups (0 ms total)
 5: 
 5: [----------] 1 test from UpdateGroupsCog
 5: [ RUN      ] UpdateGroupsCog.ComputesCogs
@@ -7497,7 +7532,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/0
 5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/1
-5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (8 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/2
 5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/3
@@ -7545,7 +7580,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1
-5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 (1 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3
@@ -7577,7 +7612,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/0
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/1
-5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/2
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/3
@@ -7613,7 +7648,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/18
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/19
-5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/0
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/1
@@ -7653,7 +7688,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/18
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/19
-5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/20
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/21
@@ -7662,48 +7697,48 @@
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/23
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms)
-5: [----------] 84 tests from WithParameters/ConstraintsTest (5 ms total)
+5: [----------] 84 tests from WithParameters/ConstraintsTest (9 ms total)
 5: 
 5: [----------] 11 tests from WithParameters/EnergyOutputTest
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/0
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (2 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/1
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/2
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/3
 5: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (0 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/4
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (11 ms)
+5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (12 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/5
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/6
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (5 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/7
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/8
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/9
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/10
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (9 ms)
 5: [----------] 11 tests from WithParameters/EnergyOutputTest (36 ms total)
 5: 
 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1
-5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 (0 ms)
+5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 (1 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3
@@ -7713,7 +7748,7 @@
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6
-5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 (1 ms)
+5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0
@@ -7791,36 +7826,36 @@
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/3
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/4
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (1 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/5
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/6
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (5 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (3 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/7
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/8
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/8 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/9
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/10
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (2 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/11
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (1 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (9 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/12
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/13
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (2 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/14
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (1 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/15
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (1 ms)
-5: [----------] 16 tests from WithParameters/LeapFrogTest (18 ms total)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (5 ms)
+5: [----------] 16 tests from WithParameters/LeapFrogTest (23 ms total)
 5: 
 5: [----------] 13 tests from WithParameters/SettleTest
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/0
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/1
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/2
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/2 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/3
@@ -7836,19 +7871,19 @@
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/8
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/9
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/10
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/11
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/12
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (0 ms)
-5: [----------] 13 tests from WithParameters/SettleTest (6 ms total)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (8 ms)
+5: [----------] 13 tests from WithParameters/SettleTest (12 ms total)
 5: 
 5: [----------] Global test environment tear-down
-5: [==========] 187 tests from 13 test cases ran. (69 ms total)
+5: [==========] 187 tests from 13 test cases ran. (83 ms total)
 5: [  PASSED  ] 187 tests.
- 5/54 Test  #5: MdlibUnitTest .......................   Passed    0.09 sec
+ 5/54 Test  #5: MdlibUnitTest .......................   Passed    0.12 sec
 test 6
       Start  6: AppliedForcesUnitTest
 
@@ -7860,20 +7895,20 @@
 6: [ RUN      ] DensityFittingTest.ForceProviderLackingInputThrows
 6: [       OK ] DensityFittingTest.ForceProviderLackingInputThrows (1 ms)
 6: [ RUN      ] DensityFittingTest.SingleAtom
-6: [       OK ] DensityFittingTest.SingleAtom (1 ms)
-6: [----------] 2 tests from DensityFittingTest (2 ms total)
+6: [       OK ] DensityFittingTest.SingleAtom (0 ms)
+6: [----------] 2 tests from DensityFittingTest (1 ms total)
 6: 
 6: [----------] 8 tests from DensityFittingOptionsTest
 6: [ RUN      ] DensityFittingOptionsTest.DefaultParameters
 6: [       OK ] DensityFittingOptionsTest.DefaultParameters (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.OptionSetsActive
-6: [       OK ] DensityFittingOptionsTest.OptionSetsActive (0 ms)
+6: [       OK ] DensityFittingOptionsTest.OptionSetsActive (1 ms)
 6: [ RUN      ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive
 6: [       OK ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive
 6: [       OK ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup
-6: [       OK ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup (1 ms)
+6: [       OK ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.InternalsToKvt
 6: [       OK ] DensityFittingOptionsTest.InternalsToKvt (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.KvtToInternal
@@ -7901,17 +7936,17 @@
 6: 
 6: [----------] 3 tests from ElectricFieldTest
 6: [ RUN      ] ElectricFieldTest.Static
-6: [       OK ] ElectricFieldTest.Static (1 ms)
+6: [       OK ] ElectricFieldTest.Static (0 ms)
 6: [ RUN      ] ElectricFieldTest.Oscillating
 6: [       OK ] ElectricFieldTest.Oscillating (0 ms)
 6: [ RUN      ] ElectricFieldTest.Pulsed
 6: [       OK ] ElectricFieldTest.Pulsed (0 ms)
-6: [----------] 3 tests from ElectricFieldTest (1 ms total)
+6: [----------] 3 tests from ElectricFieldTest (0 ms total)
 6: 
 6: [----------] Global test environment tear-down
-6: [==========] 20 tests from 4 test cases ran. (4 ms total)
+6: [==========] 20 tests from 4 test cases ran. (2 ms total)
 6: [  PASSED  ] 20 tests.
- 6/54 Test  #6: AppliedForcesUnitTest ...............   Passed    0.02 sec
+ 6/54 Test  #6: AppliedForcesUnitTest ...............   Passed    0.04 sec
 test 7
       Start  7: CommandLineUnitTests
 
@@ -7925,8 +7960,8 @@
 7: [ RUN      ] CommandLineHelpModuleTest.PrintsHelpOnTopic
 7: [       OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms)
 7: [ RUN      ] CommandLineHelpModuleTest.ExportsHelp
-7: [       OK ] CommandLineHelpModuleTest.ExportsHelp (1 ms)
-7: [----------] 3 tests from CommandLineHelpModuleTest (2 ms total)
+7: [       OK ] CommandLineHelpModuleTest.ExportsHelp (0 ms)
+7: [----------] 3 tests from CommandLineHelpModuleTest (1 ms total)
 7: 
 7: [----------] 7 tests from CommandLineHelpWriterTest
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionTypes
@@ -7936,14 +7971,14 @@
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongFileOptions
 7: [       OK ] CommandLineHelpWriterTest.HandlesLongFileOptions (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongOptions
-7: [       OK ] CommandLineHelpWriterTest.HandlesLongOptions (1 ms)
+7: [       OK ] CommandLineHelpWriterTest.HandlesLongOptions (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionGroups
 7: [       OK ] CommandLineHelpWriterTest.HandlesOptionGroups (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesHelpText
 7: [       OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesKnownIssues
 7: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms)
-7: [----------] 7 tests from CommandLineHelpWriterTest (2 ms total)
+7: [----------] 7 tests from CommandLineHelpWriterTest (1 ms total)
 7: 
 7: [----------] 6 tests from CommandLineModuleManagerTest
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModule
@@ -7951,14 +7986,14 @@
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModuleHelp
 7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelp (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet
-7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet (1 ms)
+7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH
 7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule
 7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames
 7: [       OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms)
-7: [----------] 6 tests from CommandLineModuleManagerTest (1 ms total)
+7: [----------] 6 tests from CommandLineModuleManagerTest (0 ms total)
 7: 
 7: [----------] 13 tests from CommandLineParserTest
 7: [ RUN      ] CommandLineParserTest.HandlesSingleValues
@@ -8015,9 +8050,9 @@
 7: 
 7: [----------] 21 tests from ParseCommonArgsTest
 7: [ RUN      ] ParseCommonArgsTest.ParsesIntegerArgs
-7: [       OK ] ParseCommonArgsTest.ParsesIntegerArgs (0 ms)
+7: [       OK ] ParseCommonArgsTest.ParsesIntegerArgs (4 ms)
 7: [ RUN      ] ParseCommonArgsTest.ParsesInt64Args
-7: [       OK ] ParseCommonArgsTest.ParsesInt64Args (1 ms)
+7: [       OK ] ParseCommonArgsTest.ParsesInt64Args (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.ParsesRealArgs
 7: [       OK ] ParseCommonArgsTest.ParsesRealArgs (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.ParsesStringArgs
@@ -8043,25 +8078,25 @@
 7: [ RUN      ] ParseCommonArgsTest.HandlesNonExistentInputFiles
 7: [       OK ] ParseCommonArgsTest.HandlesNonExistentInputFiles (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles
-7: [       OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (0 ms)
+7: [       OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (1 ms)
 7: [ RUN      ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified
 7: [       OK ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.HandlesCompressedFiles
-7: [       OK ] ParseCommonArgsTest.HandlesCompressedFiles (1 ms)
+7: [       OK ] ParseCommonArgsTest.HandlesCompressedFiles (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension
 7: [       OK ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFile
 7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName
-7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (1 ms)
+7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CanKeepUnknownArgs
 7: [       OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms)
-7: [----------] 21 tests from ParseCommonArgsTest (3 ms total)
+7: [----------] 21 tests from ParseCommonArgsTest (5 ms total)
 7: 
 7: [----------] Global test environment tear-down
-7: [==========] 59 tests from 7 test cases ran. (9 ms total)
+7: [==========] 59 tests from 7 test cases ran. (8 ms total)
 7: [  PASSED  ] 59 tests.
- 7/54 Test  #7: CommandLineUnitTests ................   Passed    0.03 sec
+ 7/54 Test  #7: CommandLineUnitTests ................   Passed    0.04 sec
 test 8
       Start  8: DomDecTests
 
@@ -8084,7 +8119,7 @@
 8: [       OK ] HashedMap.LinkedEntries (0 ms)
 8: [ RUN      ] HashedMap.ResizesTable
 8: [       OK ] HashedMap.ResizesTable (0 ms)
-8: [----------] 7 tests from HashedMap (0 ms total)
+8: [----------] 7 tests from HashedMap (4 ms total)
 8: 
 8: [----------] 2 tests from LocalAtomSetManager
 8: [ RUN      ] LocalAtomSetManager.CanAddEmptyLocalAtomSet
@@ -8094,9 +8129,9 @@
 8: [----------] 2 tests from LocalAtomSetManager (0 ms total)
 8: 
 8: [----------] Global test environment tear-down
-8: [==========] 9 tests from 2 test cases ran. (1 ms total)
+8: [==========] 9 tests from 2 test cases ran. (4 ms total)
 8: [  PASSED  ] 9 tests.
- 8/54 Test  #8: DomDecTests .........................   Passed    0.02 sec
+ 8/54 Test  #8: DomDecTests .........................   Passed    0.03 sec
 test 9
       Start  9: EwaldUnitTests
 
@@ -8106,67 +8141,67 @@
 9: [----------] Global test environment set-up.
 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (0 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (1 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (0 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (4 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (10 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (1 ms)
-9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (5 ms total)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms)
+9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (11 ms total)
 9: 
 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (2 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (5 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (8 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (4 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (2 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (9 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (0 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (0 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (0 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (9 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (2 ms)
-9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (36 ms total)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (0 ms)
+9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (50 ms total)
 9: 
 9: [----------] 144 tests from SaneInput/PmeGatherTest
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/0
@@ -8188,7 +8223,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/8
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/9
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/10
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/11
@@ -8196,9 +8231,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/12
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/13
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/14
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/15
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/15 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/16
@@ -8208,19 +8243,19 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/18
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/19
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/20
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/21
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/22
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/23
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/23 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/24
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/24 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/25
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/26
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/27
@@ -8230,7 +8265,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/29
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/30
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/31
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/32
@@ -8240,9 +8275,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/34
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/35
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (8 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/36
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/37
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/37 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/38
@@ -8252,19 +8287,19 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/40
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/40 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/41
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/42
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/42 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/43
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/43 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/44
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/45
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/45 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/46
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/46 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/47
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/48
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/48 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/49
@@ -8288,13 +8323,13 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/58
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/59
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/60
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/60 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/61
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/61 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/62
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/63
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/64
@@ -8302,17 +8337,17 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/65
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/66
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/66 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/66 (4 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/67
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/67 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/68
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/69
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/70
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/70 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/71
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/72
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/73
@@ -8340,7 +8375,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/84
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/85
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/86
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/87
@@ -8348,7 +8383,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/88
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/89
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/90
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/90 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/91
@@ -8360,9 +8395,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/94
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/94 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/95
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/96
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/96 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/96 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/97
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/97 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/98
@@ -8370,11 +8405,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/99
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/99 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/100
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (8 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/101
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/102
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/103
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/104
@@ -8388,9 +8423,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/108
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/109
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/110
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/110 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/110 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/111
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/111 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/112
@@ -8398,7 +8433,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/113
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/114
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/115
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/115 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/116
@@ -8408,11 +8443,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/118
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/119
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/120
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/120 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/121
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/122
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/123
@@ -8424,9 +8459,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/126
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/126 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/127
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/128
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/129
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/130
@@ -8434,7 +8469,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/131
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/131 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/132
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/132 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/132 (4 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/133
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/133 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/134
@@ -8450,53 +8485,53 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/139
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/140
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/141
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/142
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/143
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (0 ms)
-9: [----------] 144 tests from SaneInput/PmeGatherTest (24 ms total)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (1 ms)
+9: [----------] 144 tests from SaneInput/PmeGatherTest (42 ms total)
 9: 
 9: [----------] 16 tests from SaneInput/PmeSolveTest
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/1
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/2
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/4
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/8
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/9
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/10
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/11
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/12
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/13
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/13 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/14
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/15
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (0 ms)
-9: [----------] 16 tests from SaneInput/PmeSolveTest (8 ms total)
+9: [----------] 16 tests from SaneInput/PmeSolveTest (10 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (8 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2
@@ -8504,37 +8539,37 @@
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
-9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (2 ms total)
+9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (10 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (1 ms)
 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (4 ms total)
 9: 
 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2
@@ -8548,15 +8583,15 @@
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (8 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13
@@ -8565,34 +8600,34 @@
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (0 ms)
-9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (6 ms total)
+9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (13 ms total)
 9: 
 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (5 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (8 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (0 ms)
-9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (7 ms total)
+9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (19 ms total)
 9: 
 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0
@@ -8602,7 +8637,7 @@
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (5 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5
@@ -8614,44 +8649,44 @@
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (5 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (1 ms)
-9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (9 ms total)
+9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (17 ms total)
 9: 
 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (10 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (3 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (7 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (3 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (10 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (3 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (3 ms)
-9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (24 ms total)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (11 ms)
+9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (62 ms total)
 9: 
 9: [----------] Global test environment tear-down
-9: [==========] 257 tests from 10 test cases ran. (141 ms total)
+9: [==========] 257 tests from 10 test cases ran. (266 ms total)
 9: [  PASSED  ] 257 tests.
- 9/54 Test  #9: EwaldUnitTests ......................   Passed    0.18 sec
+ 9/54 Test  #9: EwaldUnitTests ......................   Passed    0.32 sec
 test 10
       Start 10: FFTUnitTests
 
@@ -8661,46 +8696,46 @@
 10: [----------] Global test environment set-up.
 10: [----------] 2 tests from ManyFFTTest
 10: [ RUN      ] ManyFFTTest.Complex1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (7 ms)
+10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (11 ms)
 10: [ RUN      ] ManyFFTTest.Real1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (10 ms)
-10: [----------] 2 tests from ManyFFTTest (18 ms total)
+10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (4 ms)
+10: [----------] 2 tests from ManyFFTTest (15 ms total)
 10: 
 10: [----------] 1 test from FFTTest
 10: [ RUN      ] FFTTest.Real2DLength18_15Test
-10: [       OK ] FFTTest.Real2DLength18_15Test (3 ms)
-10: [----------] 1 test from FFTTest (4 ms total)
+10: [       OK ] FFTTest.Real2DLength18_15Test (1 ms)
+10: [----------] 1 test from FFTTest (9 ms total)
 10: 
 10: [----------] 1 test from FFFTest3D
 10: [ RUN      ] FFFTest3D.Real5_6_9
-10: [       OK ] FFFTest3D.Real5_6_9 (2 ms)
-10: [----------] 1 test from FFFTest3D (2 ms total)
+10: [       OK ] FFFTest3D.Real5_6_9 (1 ms)
+10: [----------] 1 test from FFFTest3D (1 ms total)
 10: 
 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/0
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/1
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (0 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/2
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (2 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/4
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (2 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/0
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/1
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/1 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/2
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (4 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (6 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (2 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/4
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (8 ms)
-10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (23 ms total)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (12 ms)
+10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (21 ms total)
 10: 
 10: [----------] Global test environment tear-down
-10: [==========] 14 tests from 4 test cases ran. (47 ms total)
+10: [==========] 14 tests from 4 test cases ran. (46 ms total)
 10: [  PASSED  ] 14 tests.
 10/54 Test #10: FFTUnitTests ........................   Passed    0.07 sec
 test 11
@@ -8876,12 +8911,12 @@
 11: [ RUN      ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment
 11: [       OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms)
 11: [ RUN      ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment
-11: [       OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (1 ms)
+11: [       OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms)
 11: [ RUN      ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment
 11: [       OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms)
 11: [ RUN      ] AllocatorTest/2.Move
 11: [       OK ] AllocatorTest/2.Move (0 ms)
-11: [----------] 4 tests from AllocatorTest/2 (1 ms total)
+11: [----------] 4 tests from AllocatorTest/2 (0 ms total)
 11: 
 11: [----------] 4 tests from AllocatorTest/3, where TypeParam = gmx::Allocator<gmx::test::MoveOnly, gmx::HostAllocationPolicy>
 11: [ RUN      ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment
@@ -8895,9 +8930,9 @@
 11: [----------] 4 tests from AllocatorTest/3 (0 ms total)
 11: 
 11: [----------] Global test environment tear-down
-11: [==========] 62 tests from 20 test cases ran. (2 ms total)
+11: [==========] 62 tests from 20 test cases ran. (0 ms total)
 11: [  PASSED  ] 62 tests.
-11/54 Test #11: GpuUtilsUnitTests ...................   Passed    0.02 sec
+11/54 Test #11: GpuUtilsUnitTests ...................   Passed    0.04 sec
 test 12
       Start 12: HardwareUnitTests
 
@@ -8907,19 +8942,19 @@
 12: [----------] Global test environment set-up.
 12: [----------] 4 tests from HardwareTopologyTest
 12: [ RUN      ] HardwareTopologyTest.Execute
-12: [       OK ] HardwareTopologyTest.Execute (14 ms)
+12: [       OK ] HardwareTopologyTest.Execute (15 ms)
 12: [ RUN      ] HardwareTopologyTest.HwlocExecute
-12: [       OK ] HardwareTopologyTest.HwlocExecute (14 ms)
+12: [       OK ] HardwareTopologyTest.HwlocExecute (7 ms)
 12: [ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
-12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (12 ms)
+12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (7 ms)
 12: [ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
-12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (10 ms)
-12: [----------] 4 tests from HardwareTopologyTest (50 ms total)
+12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (7 ms)
+12: [----------] 4 tests from HardwareTopologyTest (36 ms total)
 12: 
 12: [----------] Global test environment tear-down
-12: [==========] 4 tests from 1 test case ran. (50 ms total)
+12: [==========] 4 tests from 1 test case ran. (36 ms total)
 12: [  PASSED  ] 4 tests.
-12/54 Test #12: HardwareUnitTests ...................   Passed    0.07 sec
+12/54 Test #12: HardwareUnitTests ...................   Passed    0.06 sec
 test 13
       Start 13: MathUnitTests
 
@@ -8960,9 +8995,9 @@
 13: 
 13: [----------] 8 tests from TranslateAndScaleTest
 13: [ RUN      ] TranslateAndScaleTest.identityTransformation
-13: [       OK ] TranslateAndScaleTest.identityTransformation (0 ms)
+13: [       OK ] TranslateAndScaleTest.identityTransformation (1 ms)
 13: [ RUN      ] TranslateAndScaleTest.translationWithIdentityScaling
-13: [       OK ] TranslateAndScaleTest.translationWithIdentityScaling (1 ms)
+13: [       OK ] TranslateAndScaleTest.translationWithIdentityScaling (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingWithZeroTranslation
 13: [       OK ] TranslateAndScaleTest.scalingWithZeroTranslation (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.translationAndScalingNonTrivial
@@ -8989,20 +9024,20 @@
 13: [ RUN      ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect
 13: [       OK ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero
-13: [       OK ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero (1 ms)
+13: [       OK ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero (0 ms)
 13: [ RUN      ] DensitySimilarityTest.RelativeEntropyIsCorrect
 13: [       OK ] DensitySimilarityTest.RelativeEntropyIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsOne
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (21 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (11 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (19 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (9 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (21 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (12 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (0 ms)
-13: [----------] 12 tests from DensitySimilarityTest (62 ms total)
+13: [----------] 12 tests from DensitySimilarityTest (32 ms total)
 13: 
 13: [----------] 6 tests from StructureSimilarityTest
 13: [ RUN      ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD
@@ -9044,7 +9079,7 @@
 13: [ RUN      ] FunctionTest.Log2I32Bit
 13: [       OK ] FunctionTest.Log2I32Bit (0 ms)
 13: [ RUN      ] FunctionTest.Log2I64Bit
-13: [       OK ] FunctionTest.Log2I64Bit (1 ms)
+13: [       OK ] FunctionTest.Log2I64Bit (0 ms)
 13: [ RUN      ] FunctionTest.GreatestCommonDivisor
 13: [       OK ] FunctionTest.GreatestCommonDivisor (0 ms)
 13: [ RUN      ] FunctionTest.InvsqrtFloat
@@ -9081,7 +9116,7 @@
 13: [       OK ] FunctionTest.ErfAndErfInvAreInversesFloat (0 ms)
 13: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesDouble
 13: [       OK ] FunctionTest.ErfAndErfInvAreInversesDouble (1 ms)
-13: [----------] 21 tests from FunctionTest (2 ms total)
+13: [----------] 21 tests from FunctionTest (1 ms total)
 13: 
 13: [----------] 4 tests from GaussianOn1DLattice
 13: [ RUN      ] GaussianOn1DLattice.sumsCloseToOne
@@ -9177,7 +9212,7 @@
 13: [ RUN      ] MultiDimArrayTest.canConstructAndFillDynamic
 13: [       OK ] MultiDimArrayTest.canConstructAndFillDynamic (0 ms)
 13: [ RUN      ] MultiDimArrayTest.canSetValuesInStatic
-13: [       OK ] MultiDimArrayTest.canSetValuesInStatic (1 ms)
+13: [       OK ] MultiDimArrayTest.canSetValuesInStatic (0 ms)
 13: [ RUN      ] MultiDimArrayTest.canSetValuesInDynamic
 13: [       OK ] MultiDimArrayTest.canSetValuesInDynamic (0 ms)
 13: [ RUN      ] MultiDimArrayTest.canMoveConstructStatic
@@ -9222,7 +9257,7 @@
 13: [       OK ] MultiDimArrayTest.constViewConstBegin (0 ms)
 13: [ RUN      ] MultiDimArrayTest.constViewConstEnd
 13: [       OK ] MultiDimArrayTest.constViewConstEnd (0 ms)
-13: [----------] 25 tests from MultiDimArrayTest (1 ms total)
+13: [----------] 25 tests from MultiDimArrayTest (0 ms total)
 13: 
 13: [----------] 4 tests from MultiDimArrayToMdSpanTest
 13: [ RUN      ] MultiDimArrayToMdSpanTest.convertsToMdSpan
@@ -9420,12 +9455,12 @@
 13: [       OK ] RVecTest.MoveConstructorWorks (0 ms)
 13: [ RUN      ] RVecTest.MoveAssignmentWorks
 13: [       OK ] RVecTest.MoveAssignmentWorks (0 ms)
-13: [----------] 37 tests from RVecTest (0 ms total)
+13: [----------] 37 tests from RVecTest (1 ms total)
 13: 
 13: [----------] Global test environment tear-down
-13: [==========] 204 tests from 29 test cases ran. (66 ms total)
+13: [==========] 204 tests from 29 test cases ran. (35 ms total)
 13: [  PASSED  ] 204 tests.
-13/54 Test #13: MathUnitTests .......................   Passed    0.09 sec
+13/54 Test #13: MathUnitTests .......................   Passed    0.06 sec
 test 14
       Start 14: MdrunUtilityUnitTests
 
@@ -9453,29 +9488,29 @@
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooLargeStride
 14: [       OK ] ThreadAffinityTest.DoesNothingWithTooLargeStride (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWithAuto
-14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (0 ms)
+14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (1 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWhenForced
-14: [       OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (1 ms)
+14: [       OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced
 14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (0 ms)
 14: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread
 14: NOTE: Affinity setting failed.
 14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithAuto
-14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (0 ms)
+14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (12 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced
-14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms)
+14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (1 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads
 14: [       OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (1 ms)
 14: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing
 14: NOTE: Affinity setting for 1/2 threads failed.
 14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms)
-14: [----------] 17 tests from ThreadAffinityTest (2 ms total)
+14: [----------] 17 tests from ThreadAffinityTest (15 ms total)
 14: 
 14: [----------] Global test environment tear-down
-14: [==========] 17 tests from 1 test case ran. (2 ms total)
+14: [==========] 17 tests from 1 test case ran. (15 ms total)
 14: [  PASSED  ] 17 tests.
-14/54 Test #14: MdrunUtilityUnitTests ...............   Passed    0.01 sec
+14/54 Test #14: MdrunUtilityUnitTests ...............   Passed    0.03 sec
 test 15
       Start 15: MdrunUtilityMpiUnitTests
 
@@ -9485,40 +9520,40 @@
 15: [----------] Global test environment set-up.
 15: [----------] 6 tests from ThreadAffinityMultiRankTest
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsWholeNode
-15: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (3 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (188 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride
-15: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (2 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (120 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsTwoNodes
-15: [       OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (2 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (104 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled
-15: [       OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (0 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (92 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto
-15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (1 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (76 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce
-15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (1 ms)
-15: [----------] 6 tests from ThreadAffinityMultiRankTest (9 ms total)
+15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (160 ms)
+15: [----------] 6 tests from ThreadAffinityMultiRankTest (740 ms total)
 15: 
 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (84 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (68 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (2 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (88 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (88 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (72 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (96 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (1 ms)
-15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (9 ms total)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (80 ms)
+15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (576 ms total)
 15: 
 15: [----------] Global test environment tear-down
-15: [==========] 13 tests from 2 test cases ran. (18 ms total)
+15: [==========] 13 tests from 2 test cases ran. (1316 ms total)
 15: [  PASSED  ] 13 tests.
-15/54 Test #15: MdrunUtilityMpiUnitTests ............   Passed    0.04 sec
+15/54 Test #15: MdrunUtilityMpiUnitTests ............   Passed    1.34 sec
 test 16
       Start 16: MDSpanTests
 
@@ -9608,13 +9643,13 @@
 16: [ RUN      ] MdSpanTest/1.Properties
 16: [       OK ] MdSpanTest/1.Properties (0 ms)
 16: [ RUN      ] MdSpanTest/1.Operator
-16: [       OK ] MdSpanTest/1.Operator (1 ms)
-16: [----------] 6 tests from MdSpanTest/1 (1 ms total)
+16: [       OK ] MdSpanTest/1.Operator (0 ms)
+16: [----------] 6 tests from MdSpanTest/1 (0 ms total)
 16: 
 16: [----------] Global test environment tear-down
-16: [==========] 32 tests from 7 test cases ran. (1 ms total)
+16: [==========] 32 tests from 7 test cases ran. (0 ms total)
 16: [  PASSED  ] 32 tests.
-16/54 Test #16: MDSpanTests .........................   Passed    0.02 sec
+16/54 Test #16: MDSpanTests .........................   Passed    0.03 sec
 test 17
       Start 17: OnlineHelpUnitTests
 
@@ -9635,7 +9670,7 @@
 17: [       OK ] TextTableFormatterTest.HandlesLastColumnFolding (0 ms)
 17: [ RUN      ] TextTableFormatterTest.HandlesEmptyColumns
 17: [       OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms)
-17: [----------] 6 tests from TextTableFormatterTest (1 ms total)
+17: [----------] 6 tests from TextTableFormatterTest (0 ms total)
 17: 
 17: [----------] 3 tests from HelpManagerTest
 17: [ RUN      ] HelpManagerTest.HandlesRootTopic
@@ -9643,15 +9678,15 @@
 17: [ RUN      ] HelpManagerTest.HandlesSubTopics
 17: [       OK ] HelpManagerTest.HandlesSubTopics (0 ms)
 17: [ RUN      ] HelpManagerTest.HandlesInvalidTopics
-17: [       OK ] HelpManagerTest.HandlesInvalidTopics (0 ms)
-17: [----------] 3 tests from HelpManagerTest (0 ms total)
+17: [       OK ] HelpManagerTest.HandlesInvalidTopics (1 ms)
+17: [----------] 3 tests from HelpManagerTest (1 ms total)
 17: 
 17: [----------] 2 tests from HelpTopicFormattingTest
 17: [ RUN      ] HelpTopicFormattingTest.FormatsSimpleTopic
 17: [       OK ] HelpTopicFormattingTest.FormatsSimpleTopic (0 ms)
 17: [ RUN      ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics
-17: [       OK ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics (1 ms)
-17: [----------] 2 tests from HelpTopicFormattingTest (1 ms total)
+17: [       OK ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics (0 ms)
+17: [----------] 2 tests from HelpTopicFormattingTest (0 ms total)
 17: 
 17: [----------] 11 tests from HelpWriterContextTest
 17: [ RUN      ] HelpWriterContextTest.FormatsParagraphs
@@ -9671,17 +9706,17 @@
 17: [ RUN      ] HelpWriterContextTest.FormatsEnumeratedList
 17: [       OK ] HelpWriterContextTest.FormatsEnumeratedList (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsSimpleTable
-17: [       OK ] HelpWriterContextTest.FormatsSimpleTable (1 ms)
+17: [       OK ] HelpWriterContextTest.FormatsSimpleTable (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsGridTable
 17: [       OK ] HelpWriterContextTest.FormatsGridTable (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsTitles
 17: [       OK ] HelpWriterContextTest.FormatsTitles (0 ms)
-17: [----------] 11 tests from HelpWriterContextTest (1 ms total)
+17: [----------] 11 tests from HelpWriterContextTest (0 ms total)
 17: 
 17: [----------] Global test environment tear-down
-17: [==========] 22 tests from 4 test cases ran. (3 ms total)
+17: [==========] 22 tests from 4 test cases ran. (1 ms total)
 17: [  PASSED  ] 22 tests.
-17/54 Test #17: OnlineHelpUnitTests .................   Passed    0.02 sec
+17/54 Test #17: OnlineHelpUnitTests .................   Passed    0.04 sec
 test 18
       Start 18: OptionsUnitTests
 
@@ -9697,10 +9732,10 @@
 18: [ RUN      ] AbstractOptionStorageTest.HandlesValueAddition
 18: [       OK ] AbstractOptionStorageTest.HandlesValueAddition (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.HandlesTooManyValueAddition
-18: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (1 ms)
+18: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.AllowsEmptyValues
 18: [       OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms)
-18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total)
+18: [----------] 5 tests from AbstractOptionStorageTest (0 ms total)
 18: 
 18: [----------] 8 tests from FileNameOptionTest
 18: [ RUN      ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension
@@ -9727,11 +9762,11 @@
 18: [ RUN      ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension
 18: [       OK ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile
-18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile (0 ms)
+18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile (1 ms)
 18: [ RUN      ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile
 18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile
-18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (1 ms)
+18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile
 18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified
@@ -9795,7 +9830,7 @@
 18: [ RUN      ] OptionsAssignerIntegerTest.StoresSingleValue
 18: [       OK ] OptionsAssignerIntegerTest.StoresSingleValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesEmptyValue
-18: [       OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (1 ms)
+18: [       OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesInvalidValue
 18: [       OK ] OptionsAssignerIntegerTest.HandlesInvalidValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesOverflow
@@ -9818,7 +9853,7 @@
 18: [       OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment
 18: [       OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (0 ms)
-18: [----------] 13 tests from OptionsAssignerIntegerTest (1 ms total)
+18: [----------] 13 tests from OptionsAssignerIntegerTest (0 ms total)
 18: 
 18: [----------] 5 tests from OptionsAssignerDoubleTest
 18: [ RUN      ] OptionsAssignerDoubleTest.StoresSingleValue
@@ -9881,11 +9916,11 @@
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesTwoInstances
 18: [       OK ] RepeatingOptionSectionTest.HandlesTwoInstances (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault
-18: [       OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault (1 ms)
+18: [       OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault
 18: [       OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesNestedSections
-18: [       OK ] RepeatingOptionSectionTest.HandlesNestedSections (0 ms)
+18: [       OK ] RepeatingOptionSectionTest.HandlesNestedSections (1 ms)
 18: [----------] 8 tests from RepeatingOptionSectionTest (1 ms total)
 18: 
 18: [----------] 1 test from TimeUnitManagerTest
@@ -9942,11 +9977,11 @@
 18: [       OK ] TreeValueSupportAdjustTest.MergesDefaultValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.OrdersValues
 18: [       OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms)
-18: [----------] 6 tests from TreeValueSupportAdjustTest (1 ms total)
+18: [----------] 6 tests from TreeValueSupportAdjustTest (0 ms total)
 18: 
 18: [----------] 8 tests from TreeValueSupportTest
 18: [ RUN      ] TreeValueSupportTest.SupportsBooleanOption
-18: [       OK ] TreeValueSupportTest.SupportsBooleanOption (0 ms)
+18: [       OK ] TreeValueSupportTest.SupportsBooleanOption (8 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsIntegerOption
 18: [       OK ] TreeValueSupportTest.SupportsIntegerOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsInt64Option
@@ -9961,12 +9996,12 @@
 18: [       OK ] TreeValueSupportTest.SupportsEnumIntOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsEnumOption
 18: [       OK ] TreeValueSupportTest.SupportsEnumOption (0 ms)
-18: [----------] 8 tests from TreeValueSupportTest (1 ms total)
+18: [----------] 8 tests from TreeValueSupportTest (9 ms total)
 18: 
 18: [----------] Global test environment tear-down
-18: [==========] 110 tests from 18 test cases ran. (6 ms total)
+18: [==========] 110 tests from 18 test cases ran. (11 ms total)
 18: [  PASSED  ] 110 tests.
-18/54 Test #18: OptionsUnitTests ....................   Passed    0.03 sec
+18/54 Test #18: OptionsUnitTests ....................   Passed    0.05 sec
 test 19
       Start 19: PbcutilUnitTest
 
@@ -9989,7 +10024,7 @@
 19: [----------] Global test environment tear-down
 19: [==========] 3 tests from 2 test cases ran. (0 ms total)
 19: [  PASSED  ] 3 tests.
-19/54 Test #19: PbcutilUnitTest .....................   Passed    0.02 sec
+19/54 Test #19: PbcutilUnitTest .....................   Passed    0.03 sec
 test 20
       Start 20: RandomUnitTests
 
@@ -10010,14 +10045,14 @@
 20: 
 20: [----------] 4 tests from GammaDistributionTest
 20: [ RUN      ] GammaDistributionTest.Output
-20: [       OK ] GammaDistributionTest.Output (1 ms)
+20: [       OK ] GammaDistributionTest.Output (0 ms)
 20: [ RUN      ] GammaDistributionTest.Logical
 20: [       OK ] GammaDistributionTest.Logical (0 ms)
 20: [ RUN      ] GammaDistributionTest.Reset
 20: [       OK ] GammaDistributionTest.Reset (0 ms)
 20: [ RUN      ] GammaDistributionTest.AltParam
 20: [       OK ] GammaDistributionTest.AltParam (0 ms)
-20: [----------] 4 tests from GammaDistributionTest (1 ms total)
+20: [----------] 4 tests from GammaDistributionTest (0 ms total)
 20: 
 20: [----------] 4 tests from NormalDistributionTest
 20: [ RUN      ] NormalDistributionTest.Output
@@ -10037,7 +10072,7 @@
 20: 
 20: [----------] 6 tests from TabulatedNormalDistributionTest
 20: [ RUN      ] TabulatedNormalDistributionTest.Output14
-20: [       OK ] TabulatedNormalDistributionTest.Output14 (0 ms)
+20: [       OK ] TabulatedNormalDistributionTest.Output14 (1 ms)
 20: [ RUN      ] TabulatedNormalDistributionTest.Output16
 20: [       OK ] TabulatedNormalDistributionTest.Output16 (0 ms)
 20: [ RUN      ] TabulatedNormalDistributionTest.OutputDouble14
@@ -10048,12 +10083,12 @@
 20: [       OK ] TabulatedNormalDistributionTest.Reset (0 ms)
 20: [ RUN      ] TabulatedNormalDistributionTest.AltParam
 20: [       OK ] TabulatedNormalDistributionTest.AltParam (0 ms)
-20: [----------] 6 tests from TabulatedNormalDistributionTest (0 ms total)
+20: [----------] 6 tests from TabulatedNormalDistributionTest (1 ms total)
 20: 
 20: [----------] 1 test from TabulatedNormalDistributionTableTest
 20: [ RUN      ] TabulatedNormalDistributionTableTest.HasValidProperties
-20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (2 ms)
-20: [----------] 1 test from TabulatedNormalDistributionTableTest (2 ms total)
+20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (8 ms)
+20: [----------] 1 test from TabulatedNormalDistributionTableTest (8 ms total)
 20: 
 20: [----------] 6 tests from ThreeFry2x64Test
 20: [ RUN      ] ThreeFry2x64Test.Logical
@@ -10065,10 +10100,10 @@
 20: [ RUN      ] ThreeFry2x64Test.Discard
 20: [       OK ] ThreeFry2x64Test.Discard (0 ms)
 20: [ RUN      ] ThreeFry2x64Test.InvalidCounter
-20: [       OK ] ThreeFry2x64Test.InvalidCounter (0 ms)
+20: [       OK ] ThreeFry2x64Test.InvalidCounter (1 ms)
 20: [ RUN      ] ThreeFry2x64Test.ExhaustInternalCounter
 20: [       OK ] ThreeFry2x64Test.ExhaustInternalCounter (0 ms)
-20: [----------] 6 tests from ThreeFry2x64Test (0 ms total)
+20: [----------] 6 tests from ThreeFry2x64Test (1 ms total)
 20: 
 20: [----------] 4 tests from UniformIntDistributionTest
 20: [ RUN      ] UniformIntDistributionTest.Output
@@ -10092,7 +10127,7 @@
 20: [       OK ] UniformRealDistributionTest.Reset (0 ms)
 20: [ RUN      ] UniformRealDistributionTest.AltParam
 20: [       OK ] UniformRealDistributionTest.AltParam (0 ms)
-20: [----------] 5 tests from UniformRealDistributionTest (1 ms total)
+20: [----------] 5 tests from UniformRealDistributionTest (0 ms total)
 20: 
 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Default/0
@@ -10116,9 +10151,9 @@
 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (0 ms total)
 20: 
 20: [----------] Global test environment tear-down
-20: [==========] 44 tests from 10 test cases ran. (4 ms total)
+20: [==========] 44 tests from 10 test cases ran. (10 ms total)
 20: [  PASSED  ] 44 tests.
-20/54 Test #20: RandomUnitTests .....................   Passed    0.03 sec
+20/54 Test #20: RandomUnitTests .....................   Passed    0.05 sec
 test 21
       Start 21: RestraintTests
 
@@ -10134,7 +10169,7 @@
 21: [----------] Global test environment tear-down
 21: [==========] 1 test from 1 test case ran. (0 ms total)
 21: [  PASSED  ] 1 test.
-21/54 Test #21: RestraintTests ......................   Passed    0.02 sec
+21/54 Test #21: RestraintTests ......................   Passed    0.03 sec
 test 22
       Start 22: TableUnitTests
 
@@ -10146,7 +10181,7 @@
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectInput
 22: [       OK ] SplineTableTest/0.HandlesIncorrectInput (1 ms)
 22: [ RUN      ] SplineTableTest/0.Sinc
-22: [       OK ] SplineTableTest/0.Sinc (1 ms)
+22: [       OK ] SplineTableTest/0.Sinc (0 ms)
 22: [ RUN      ] SplineTableTest/0.LJ12
 22: [       OK ] SplineTableTest/0.LJ12 (13 ms)
 22: [ RUN      ] SplineTableTest/0.PmeCorrection
@@ -10154,24 +10189,24 @@
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectNumericalInput
 22: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (0 ms)
 22: [ RUN      ] SplineTableTest/0.NumericalInputPmeCorr
-22: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (1 ms)
+22: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (0 ms)
 22: [ RUN      ] SplineTableTest/0.TwoFunctions
-22: [       OK ] SplineTableTest/0.TwoFunctions (23 ms)
+22: [       OK ] SplineTableTest/0.TwoFunctions (22 ms)
 22: [ RUN      ] SplineTableTest/0.ThreeFunctions
-22: [       OK ] SplineTableTest/0.ThreeFunctions (20 ms)
+22: [       OK ] SplineTableTest/0.ThreeFunctions (26 ms)
 22: [ RUN      ] SplineTableTest/0.Simd
-22: [       OK ] SplineTableTest/0.Simd (3 ms)
+22: [       OK ] SplineTableTest/0.Simd (2 ms)
 22: [ RUN      ] SplineTableTest/0.SimdTwoFunctions
-22: [       OK ] SplineTableTest/0.SimdTwoFunctions (13 ms)
-22: [----------] 10 tests from SplineTableTest/0 (77 ms total)
+22: [       OK ] SplineTableTest/0.SimdTwoFunctions (21 ms)
+22: [----------] 10 tests from SplineTableTest/0 (86 ms total)
 22: 
 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectInput
-22: [       OK ] SplineTableTest/1.HandlesIncorrectInput (1 ms)
+22: [       OK ] SplineTableTest/1.HandlesIncorrectInput (0 ms)
 22: [ RUN      ] SplineTableTest/1.Sinc
 22: [       OK ] SplineTableTest/1.Sinc (0 ms)
 22: [ RUN      ] SplineTableTest/1.LJ12
-22: [       OK ] SplineTableTest/1.LJ12 (1 ms)
+22: [       OK ] SplineTableTest/1.LJ12 (5 ms)
 22: [ RUN      ] SplineTableTest/1.PmeCorrection
 22: [       OK ] SplineTableTest/1.PmeCorrection (1 ms)
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectNumericalInput
@@ -10179,19 +10214,19 @@
 22: [ RUN      ] SplineTableTest/1.NumericalInputPmeCorr
 22: [       OK ] SplineTableTest/1.NumericalInputPmeCorr (0 ms)
 22: [ RUN      ] SplineTableTest/1.TwoFunctions
-22: [       OK ] SplineTableTest/1.TwoFunctions (2 ms)
+22: [       OK ] SplineTableTest/1.TwoFunctions (1 ms)
 22: [ RUN      ] SplineTableTest/1.ThreeFunctions
 22: [       OK ] SplineTableTest/1.ThreeFunctions (2 ms)
 22: [ RUN      ] SplineTableTest/1.Simd
-22: [       OK ] SplineTableTest/1.Simd (1 ms)
+22: [       OK ] SplineTableTest/1.Simd (4 ms)
 22: [ RUN      ] SplineTableTest/1.SimdTwoFunctions
 22: [       OK ] SplineTableTest/1.SimdTwoFunctions (1 ms)
-22: [----------] 10 tests from SplineTableTest/1 (9 ms total)
+22: [----------] 10 tests from SplineTableTest/1 (14 ms total)
 22: 
 22: [----------] Global test environment tear-down
-22: [==========] 20 tests from 2 test cases ran. (86 ms total)
+22: [==========] 20 tests from 2 test cases ran. (100 ms total)
 22: [  PASSED  ] 20 tests.
-22/54 Test #22: TableUnitTests ......................   Passed    0.10 sec
+22/54 Test #22: TableUnitTests ......................   Passed    0.13 sec
 test 23
       Start 23: TaskAssignmentUnitTests
 
@@ -10214,7 +10249,7 @@
 23: [----------] Global test environment tear-down
 23: [==========] 3 tests from 2 test cases ran. (1 ms total)
 23: [  PASSED  ] 3 tests.
-23/54 Test #23: TaskAssignmentUnitTests .............   Passed    0.02 sec
+23/54 Test #23: TaskAssignmentUnitTests .............   Passed    0.03 sec
 test 24
       Start 24: TopologyTest
 
@@ -10251,12 +10286,12 @@
 24: [       OK ] SymtabTest.AddLargeNumberOfEntries (0 ms)
 24: [ RUN      ] SymtabTest.NoDuplicatesInLargeTable
 24: [       OK ] SymtabTest.NoDuplicatesInLargeTable (0 ms)
-24: [----------] 6 tests from SymtabTest (1 ms total)
+24: [----------] 6 tests from SymtabTest (0 ms total)
 24: 
 24: [----------] Global test environment tear-down
-24: [==========] 11 tests from 3 test cases ran. (1 ms total)
+24: [==========] 11 tests from 3 test cases ran. (0 ms total)
 24: [  PASSED  ] 11 tests.
-24/54 Test #24: TopologyTest ........................   Passed    0.02 sec
+24/54 Test #24: TopologyTest ........................   Passed    0.03 sec
 test 25
       Start 25: PullTest
 
@@ -10280,7 +10315,7 @@
 25: [----------] Global test environment tear-down
 25: [==========] 5 tests from 1 test case ran. (0 ms total)
 25: [  PASSED  ] 5 tests.
-25/54 Test #25: PullTest ............................   Passed    0.02 sec
+25/54 Test #25: PullTest ............................   Passed    0.04 sec
 test 26
       Start 26: AwhTest
 
@@ -10295,8 +10330,8 @@
 26: 
 26: [----------] 1 test from gridTest
 26: [ RUN      ] gridTest.neighborhood
-26: [       OK ] gridTest.neighborhood (3 ms)
-26: [----------] 1 test from gridTest (3 ms total)
+26: [       OK ] gridTest.neighborhood (1 ms)
+26: [----------] 1 test from gridTest (1 ms total)
 26: 
 26: [----------] 8 tests from WithParameters/BiasTest
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/0
@@ -10306,28 +10341,28 @@
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/2
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/3
-26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (1 ms)
+26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/4
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/4 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/5
-26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/5 (1 ms)
+26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/5 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/6
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/7
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (1 ms)
-26: [----------] 8 tests from WithParameters/BiasTest (4 ms total)
+26: [----------] 8 tests from WithParameters/BiasTest (2 ms total)
 26: 
 26: [----------] 2 tests from WithParameters/BiasStateTest
 26: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/0
 26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (0 ms)
 26: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/1
-26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (1 ms)
-26: [----------] 2 tests from WithParameters/BiasStateTest (1 ms total)
+26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (0 ms)
+26: [----------] 2 tests from WithParameters/BiasStateTest (0 ms total)
 26: 
 26: [----------] Global test environment tear-down
-26: [==========] 12 tests from 4 test cases ran. (8 ms total)
+26: [==========] 12 tests from 4 test cases ran. (3 ms total)
 26: [  PASSED  ] 12 tests.
-26/54 Test #26: AwhTest .............................   Passed    0.03 sec
+26/54 Test #26: AwhTest .............................   Passed    0.04 sec
 test 27
       Start 27: SimdUnitTests
 
@@ -10446,7 +10481,7 @@
 27: [       OK ] SimdFloatingpointTest.cvtFloat2Double (0 ms)
 27: [ RUN      ] SimdFloatingpointTest.cvtDouble2Float
 27: [       OK ] SimdFloatingpointTest.cvtDouble2Float (0 ms)
-27: [----------] 42 tests from SimdFloatingpointTest (1 ms total)
+27: [----------] 42 tests from SimdFloatingpointTest (0 ms total)
 27: 
 27: [----------] 16 tests from SimdFloatingpointUtilTest
 27: [ RUN      ] SimdFloatingpointUtilTest.gatherLoadTranspose4
@@ -10494,7 +10529,7 @@
 27: 
 27: [----------] 56 tests from SimdMathTest
 27: [ RUN      ] SimdMathTest.generateTestPointsFloat
-27: [       OK ] SimdMathTest.generateTestPointsFloat (0 ms)
+27: [       OK ] SimdMathTest.generateTestPointsFloat (1 ms)
 27: [ RUN      ] SimdMathTest.copysign
 27: [       OK ] SimdMathTest.copysign (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrt
@@ -10502,99 +10537,99 @@
 27: [ RUN      ] SimdMathTest.maskzInvsqrt
 27: [       OK ] SimdMathTest.maskzInvsqrt (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtPair
-27: [       OK ] SimdMathTest.invsqrtPair (1 ms)
+27: [       OK ] SimdMathTest.invsqrtPair (0 ms)
 27: [ RUN      ] SimdMathTest.sqrt
 27: [       OK ] SimdMathTest.sqrt (1 ms)
 27: [ RUN      ] SimdMathTest.sqrtUnsafe
-27: [       OK ] SimdMathTest.sqrtUnsafe (1 ms)
+27: [       OK ] SimdMathTest.sqrtUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.inv
-27: [       OK ] SimdMathTest.inv (1 ms)
+27: [       OK ] SimdMathTest.inv (4 ms)
 27: [ RUN      ] SimdMathTest.maskzInv
 27: [       OK ] SimdMathTest.maskzInv (0 ms)
 27: [ RUN      ] SimdMathTest.cbrt
 27: [       OK ] SimdMathTest.cbrt (1 ms)
 27: [ RUN      ] SimdMathTest.invcbrt
-27: [       OK ] SimdMathTest.invcbrt (2 ms)
+27: [       OK ] SimdMathTest.invcbrt (1 ms)
 27: [ RUN      ] SimdMathTest.log2
-27: [       OK ] SimdMathTest.log2 (1 ms)
+27: [       OK ] SimdMathTest.log2 (0 ms)
 27: [ RUN      ] SimdMathTest.log
 27: [       OK ] SimdMathTest.log (0 ms)
 27: [ RUN      ] SimdMathTest.exp2
-27: [       OK ] SimdMathTest.exp2 (2 ms)
+27: [       OK ] SimdMathTest.exp2 (1 ms)
 27: [ RUN      ] SimdMathTest.exp2Unsafe
-27: [       OK ] SimdMathTest.exp2Unsafe (1 ms)
+27: [       OK ] SimdMathTest.exp2Unsafe (0 ms)
 27: [ RUN      ] SimdMathTest.exp
-27: [       OK ] SimdMathTest.exp (1 ms)
+27: [       OK ] SimdMathTest.exp (0 ms)
 27: [ RUN      ] SimdMathTest.expUnsafe
-27: [       OK ] SimdMathTest.expUnsafe (0 ms)
+27: [       OK ] SimdMathTest.expUnsafe (1 ms)
 27: [ RUN      ] SimdMathTest.pow
 27: [       OK ] SimdMathTest.pow (0 ms)
 27: [ RUN      ] SimdMathTest.powUnsafe
 27: [       OK ] SimdMathTest.powUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.erf
-27: [       OK ] SimdMathTest.erf (1 ms)
+27: [       OK ] SimdMathTest.erf (0 ms)
 27: [ RUN      ] SimdMathTest.erfc
-27: [       OK ] SimdMathTest.erfc (1 ms)
+27: [       OK ] SimdMathTest.erfc (8 ms)
 27: [ RUN      ] SimdMathTest.sin
 27: [       OK ] SimdMathTest.sin (1 ms)
 27: [ RUN      ] SimdMathTest.cos
-27: [       OK ] SimdMathTest.cos (1 ms)
+27: [       OK ] SimdMathTest.cos (0 ms)
 27: [ RUN      ] SimdMathTest.tan
-27: [       OK ] SimdMathTest.tan (2 ms)
+27: [       OK ] SimdMathTest.tan (1 ms)
 27: [ RUN      ] SimdMathTest.asin
 27: [       OK ] SimdMathTest.asin (0 ms)
 27: [ RUN      ] SimdMathTest.acos
-27: [       OK ] SimdMathTest.acos (1 ms)
+27: [       OK ] SimdMathTest.acos (0 ms)
 27: [ RUN      ] SimdMathTest.atan
-27: [       OK ] SimdMathTest.atan (1 ms)
+27: [       OK ] SimdMathTest.atan (0 ms)
 27: [ RUN      ] SimdMathTest.atan2
 27: [       OK ] SimdMathTest.atan2 (0 ms)
 27: [ RUN      ] SimdMathTest.pmeForceCorrection
 27: [       OK ] SimdMathTest.pmeForceCorrection (1 ms)
 27: [ RUN      ] SimdMathTest.pmePotentialCorrection
-27: [       OK ] SimdMathTest.pmePotentialCorrection (1 ms)
+27: [       OK ] SimdMathTest.pmePotentialCorrection (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtSingleAccuracy
-27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtPairSingleAccuracy
 27: [       OK ] SimdMathTest.invsqrtPairSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracy
 27: [       OK ] SimdMathTest.sqrtSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (1 ms)
+27: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.invSingleAccuracy
-27: [       OK ] SimdMathTest.invSingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.invSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.cbrtSingleAccuracy
 27: [       OK ] SimdMathTest.cbrtSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.invcbrtSingleAccuracy
 27: [       OK ] SimdMathTest.invcbrtSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.log2SingleAccuracy
-27: [       OK ] SimdMathTest.log2SingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.log2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.logSingleAccuracy
-27: [       OK ] SimdMathTest.logSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.logSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracy
 27: [       OK ] SimdMathTest.exp2SingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (1 ms)
+27: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracy
 27: [       OK ] SimdMathTest.expSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (1 ms)
+27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracy
 27: [       OK ] SimdMathTest.powSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracyUnsafe
 27: [       OK ] SimdMathTest.powSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.erfSingleAccuracy
-27: [       OK ] SimdMathTest.erfSingleAccuracy (0 ms)
+27: [       OK ] SimdMathTest.erfSingleAccuracy (8 ms)
 27: [ RUN      ] SimdMathTest.erfcSingleAccuracy
 27: [       OK ] SimdMathTest.erfcSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.sinSingleAccuracy
-27: [       OK ] SimdMathTest.sinSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.sinSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.cosSingleAccuracy
-27: [       OK ] SimdMathTest.cosSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.cosSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.tanSingleAccuracy
 27: [       OK ] SimdMathTest.tanSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.asinSingleAccuracy
-27: [       OK ] SimdMathTest.asinSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.asinSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.acosSingleAccuracy
 27: [       OK ] SimdMathTest.acosSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.atanSingleAccuracy
@@ -10602,10 +10637,10 @@
 27: [ RUN      ] SimdMathTest.atan2SingleAccuracy
 27: [       OK ] SimdMathTest.atan2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.pmeForceCorrectionSingleAccuracy
-27: [       OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.pmePotentialCorrectionSingleAccuracy
-27: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (1 ms)
-27: [----------] 56 tests from SimdMathTest (46 ms total)
+27: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (0 ms)
+27: [----------] 56 tests from SimdMathTest (37 ms total)
 27: 
 27: [----------] 1 test from EmptyArrayRefTest
 27: [ RUN      ] EmptyArrayRefTest.IsEmpty
@@ -10637,7 +10672,7 @@
 27: [       OK ] ArrayRefTest/2.ConstructFromArrayRefWorks (0 ms)
 27: [ RUN      ] ArrayRefTest/2.ConstructFromArrayWorks
 27: [       OK ] ArrayRefTest/2.ConstructFromArrayWorks (0 ms)
-27: [----------] 3 tests from ArrayRefTest/2 (0 ms total)
+27: [----------] 3 tests from ArrayRefTest/2 (1 ms total)
 27: 
 27: [----------] 3 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef<gmx::SimdFInt32 const>
 27: [ RUN      ] ArrayRefTest/3.ConstructFromPointersWorks
@@ -10879,7 +10914,7 @@
 27: [       OK ] SimdScalarTest.cvtIB2B (0 ms)
 27: [ RUN      ] SimdScalarTest.expandScalarsToTriplets
 27: [       OK ] SimdScalarTest.expandScalarsToTriplets (0 ms)
-27: [----------] 41 tests from SimdScalarTest (0 ms total)
+27: [----------] 41 tests from SimdScalarTest (4 ms total)
 27: 
 27: [----------] 8 tests from SimdScalarUtilTest
 27: [ RUN      ] SimdScalarUtilTest.gatherLoadTranspose
@@ -10895,10 +10930,10 @@
 27: [ RUN      ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose
 27: [       OK ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose (0 ms)
 27: [ RUN      ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose
-27: [       OK ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose (1 ms)
+27: [       OK ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose (0 ms)
 27: [ RUN      ] SimdScalarUtilTest.reduceIncr4ReturnSum
 27: [       OK ] SimdScalarUtilTest.reduceIncr4ReturnSum (0 ms)
-27: [----------] 8 tests from SimdScalarUtilTest (1 ms total)
+27: [----------] 8 tests from SimdScalarUtilTest (0 ms total)
 27: 
 27: [----------] 37 tests from SimdScalarMathTest
 27: [ RUN      ] SimdScalarMathTest.copysign
@@ -10978,9 +11013,9 @@
 27: [----------] 37 tests from SimdScalarMathTest (0 ms total)
 27: 
 27: [----------] Global test environment tear-down
-27: [==========] 288 tests from 22 test cases ran. (48 ms total)
+27: [==========] 288 tests from 22 test cases ran. (42 ms total)
 27: [  PASSED  ] 288 tests.
-27/54 Test #27: SimdUnitTests .......................   Passed    0.07 sec
+27/54 Test #27: SimdUnitTests .......................   Passed    0.08 sec
 test 28
       Start 28: CompatibilityHelpersTests
 
@@ -11070,7 +11105,7 @@
 28: [ RUN      ] OptionalTest.CanResetContent
 28: [       OK ] OptionalTest.CanResetContent (0 ms)
 28: [ RUN      ] OptionalTest.ProvidesRelationalOperators
-28: [       OK ] OptionalTest.ProvidesRelationalOperators (1 ms)
+28: [       OK ] OptionalTest.ProvidesRelationalOperators (0 ms)
 28: [ RUN      ] OptionalTest.ProvidesMixedTypeRelationalOperators
 28: [       OK ] OptionalTest.ProvidesMixedTypeRelationalOperators (0 ms)
 28: [ RUN      ] OptionalTest.CanProduceHash
@@ -11096,7 +11131,7 @@
 28: sizeof( optional<long double> ): 32 (16)
 28: sizeof( optional<Struct> ): 2 (1)
 28: [       OK ] OptionalTest.ShowSizeDependingOnBaseType (0 ms)
-28: [----------] 45 tests from OptionalTest (1 ms total)
+28: [----------] 45 tests from OptionalTest (0 ms total)
 28: 
 28: [----------] 7 tests from MakeOptionalTest
 28: [ RUN      ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals
@@ -11366,7 +11401,7 @@
 28: [       OK ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString (0 ms)
 28: [ RUN      ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString
 28: [       OK ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString (0 ms)
-28: [----------] 80 tests from StringViewTest (0 ms total)
+28: [----------] 80 tests from StringViewTest (1 ms total)
 28: 
 28: [----------] 5 tests from StringViewExtensionTest
 28: [ RUN      ] StringViewExtensionTest.CanConstructViewFromString
@@ -11382,9 +11417,9 @@
 28: [----------] 5 tests from StringViewExtensionTest (0 ms total)
 28: 
 28: [----------] Global test environment tear-down
-28: [==========] 170 tests from 12 test cases ran. (1 ms total)
+28: [==========] 170 tests from 12 test cases ran. (2 ms total)
 28: [  PASSED  ] 170 tests.
-28/54 Test #28: CompatibilityHelpersTests ...........   Passed    0.01 sec
+28/54 Test #28: CompatibilityHelpersTests ...........   Passed    0.05 sec
 test 29
       Start 29: GmxAnaTest
 
@@ -11394,13 +11429,13 @@
 29: [----------] Global test environment set-up.
 29: [----------] 5 tests from Entropy
 29: [ RUN      ] Entropy.Schlitter_300_NoLinear
-29: [       OK ] Entropy.Schlitter_300_NoLinear (1 ms)
+29: [       OK ] Entropy.Schlitter_300_NoLinear (0 ms)
 29: [ RUN      ] Entropy.Schlitter_300_Linear
 29: [       OK ] Entropy.Schlitter_300_Linear (0 ms)
 29: [ RUN      ] Entropy.QuasiHarmonic_300_NoLinear
 29: [       OK ] Entropy.QuasiHarmonic_300_NoLinear (0 ms)
 29: [ RUN      ] Entropy.QuasiHarmonic_200_NoLinear
-29: [       OK ] Entropy.QuasiHarmonic_200_NoLinear (0 ms)
+29: [       OK ] Entropy.QuasiHarmonic_200_NoLinear (1 ms)
 29: [ RUN      ] Entropy.QuasiHarmonic_200_Linear
 29: [       OK ] Entropy.QuasiHarmonic_200_Linear (0 ms)
 29: [----------] 5 tests from Entropy (1 ms total)
@@ -11417,7 +11452,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
-29: [       OK ] MindistTest.mindistWorksWithSingleAtoms (2 ms)
+29: [       OK ] MindistTest.mindistWorksWithSingleAtoms (0 ms)
 29: [ RUN      ] MindistTest.mindistWorksWithMultipleAtoms
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -11441,7 +11476,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
-29: [       OK ] MindistTest.mindistDoesNotPickUpContacts (1 ms)
+29: [       OK ] MindistTest.mindistDoesNotPickUpContacts (0 ms)
 29: [ RUN      ] MindistTest.mindistPicksUpContacts
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -11453,7 +11488,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
-29: [       OK ] MindistTest.mindistPicksUpContacts (1 ms)
+29: [       OK ] MindistTest.mindistPicksUpContacts (0 ms)
 29: [ RUN      ] MindistTest.ngWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -11478,7 +11513,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 3: 'atoms12'
 29: Selected 2: 'atom3'
-29: [       OK ] MindistTest.groupWorks (1 ms)
+29: [       OK ] MindistTest.groupWorks (4 ms)
 29: [ RUN      ] MindistTest.maxDistWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -11502,7 +11537,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
-29: [       OK ] MindistTest.noPbcWorks (1 ms)
+29: [       OK ] MindistTest.noPbcWorks (0 ms)
 29: [ RUN      ] MindistTest.resPerTimeWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -11526,8 +11561,8 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 5: 'atoms123'
 29: Special case: making distance matrix between all atoms in group atoms123
-29: [       OK ] MindistTest.matrixWorks (1 ms)
-29: [----------] 10 tests from MindistTest (10 ms total)
+29: [       OK ] MindistTest.matrixWorks (0 ms)
+29: [----------] 10 tests from MindistTest (8 ms total)
 29: 
 29: [----------] 3 tests from MsdTest
 29: [ RUN      ] MsdTest.threeDimensionalDiffusion
@@ -11542,7 +11577,7 @@
 29: Fitting from 1 to 8 ps
 29: 
 29: D[ particles] 4.0000 (+/- 0.0000) 1e-5 cm^2/s
-29: [       OK ] MsdTest.threeDimensionalDiffusion (1 ms)
+29: [       OK ] MsdTest.threeDimensionalDiffusion (0 ms)
 29: [ RUN      ] MsdTest.twoDimensionalDiffusion
 29: 
 29: Select a group to calculate mean squared displacement for:
@@ -11568,8 +11603,8 @@
 29: Fitting from 1 to 8 ps
 29: 
 29: D[ particles] 8.0000 (+/- 0.0000) 1e-5 cm^2/s
-29: [       OK ] MsdTest.oneDimensionalDiffusion (1 ms)
-29: [----------] 3 tests from MsdTest (3 ms total)
+29: [       OK ] MsdTest.oneDimensionalDiffusion (0 ms)
+29: [----------] 3 tests from MsdTest (1 ms total)
 29: 
 29: [----------] 3 tests from MsdMolTest
 29: [ RUN      ] MsdMolTest.diffMolMassWeighted
@@ -11578,7 +11613,7 @@
 29:   For a correct single-point energy evaluation with nsteps = 0, use
 29:   continuation = yes to avoid constraining the input coordinates.
 29: 
-29: Setting the LD random seed to -570561061
+29: Setting the LD random seed to -433325249
 29: Generated 330891 of the 330891 non-bonded parameter combinations
 29: Generating 1-4 interactions: fudge = 0.5
 29: Generated 330891 of the 330891 1-4 parameter combinations
@@ -11615,14 +11650,14 @@
 29: Fitting from 0.008 to 0.088 ps
 29: 
 29: D[     water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s
-29: [       OK ] MsdMolTest.diffMolMassWeighted (232 ms)
+29: [       OK ] MsdMolTest.diffMolMassWeighted (469 ms)
 29: [ RUN      ] MsdMolTest.diffMolNonMassWeighted
 29: 
 29: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]:
 29:   For a correct single-point energy evaluation with nsteps = 0, use
 29:   continuation = yes to avoid constraining the input coordinates.
 29: 
-29: Setting the LD random seed to 902771438
+29: Setting the LD random seed to -1216610977
 29: Generated 330891 of the 330891 non-bonded parameter combinations
 29: Generating 1-4 interactions: fudge = 0.5
 29: Generated 330891 of the 330891 1-4 parameter combinations
@@ -11659,14 +11694,14 @@
 29: Fitting from 0.008 to 0.088 ps
 29: 
 29: D[     water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s
-29: [       OK ] MsdMolTest.diffMolNonMassWeighted (190 ms)
+29: [       OK ] MsdMolTest.diffMolNonMassWeighted (443 ms)
 29: [ RUN      ] MsdMolTest.diffMolSelected
 29: 
 29: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]:
 29:   For a correct single-point energy evaluation with nsteps = 0, use
 29:   continuation = yes to avoid constraining the input coordinates.
 29: 
-29: Setting the LD random seed to -1813057539
+29: Setting the LD random seed to -556417025
 29: Generated 330891 of the 330891 non-bonded parameter combinations
 29: Generating 1-4 interactions: fudge = 0.5
 29: Generated 330891 of the 330891 1-4 parameter combinations
@@ -11703,8 +11738,8 @@
 29: Fitting from 0.008 to 0.088 ps
 29: 
 29: D[       mol] 7.8614 (+/- 1.5618) 1e-5 cm^2/s
-29: [       OK ] MsdMolTest.diffMolSelected (184 ms)
-29: [----------] 3 tests from MsdMolTest (606 ms total)
+29: [       OK ] MsdMolTest.diffMolSelected (428 ms)
+29: [----------] 3 tests from MsdMolTest (1340 ms total)
 29: 
 29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0
@@ -11721,14 +11756,14 @@
 29: Group     2 (            SOL) has     6 elements
 29: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
-29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (1 ms)
+29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (9 ms)
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2
 29: Group     0 (         System) has     6 elements
 29: Group     1 (          Water) has     6 elements
 29: Group     2 (            SOL) has     6 elements
 29: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
-29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (0 ms)
+29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (1 ms)
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3
 29: Group     0 (         System) has     6 elements
 29: Group     1 (          Water) has     6 elements
@@ -11736,7 +11771,7 @@
 29: Select a group: Reading frames from gro file '', 6 atoms.
 29: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
-29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 (1 ms)
+29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 (0 ms)
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4
 29: Group     0 (         System) has     6 elements
 29: Group     1 (          Water) has     6 elements
@@ -11744,20 +11779,20 @@
 29: Select a group: Reading frames from pdb file
Reading frame       0 time    0.000    't=   0.00000', 6 atoms
 29: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
-29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 (1 ms)
+29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 (0 ms)
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5
 29: Group     0 (         System) has     6 elements
 29: Group     1 (          Water) has     6 elements
 29: Group     2 (            SOL) has     6 elements
 29: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
-29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 (0 ms)
-29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj (4 ms total)
+29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 (1 ms)
+29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj (13 ms total)
 29: 
 29: [----------] Global test environment tear-down
-29: [==========] 27 tests from 5 test cases ran. (624 ms total)
+29: [==========] 27 tests from 5 test cases ran. (1363 ms total)
 29: [  PASSED  ] 27 tests.
-29/54 Test #29: GmxAnaTest ..........................   Passed    0.64 sec
+29/54 Test #29: GmxAnaTest ..........................   Passed    1.40 sec
 test 30
       Start 30: GmxPreprocessTests
 
@@ -11767,11 +11802,11 @@
 30: [----------] Global test environment set-up.
 30: [----------] 4 tests from GenconfTest
 30: [ RUN      ] GenconfTest.nbox_Works
-30: [       OK ] GenconfTest.nbox_Works (1 ms)
+30: [       OK ] GenconfTest.nbox_Works (0 ms)
 30: [ RUN      ] GenconfTest.nbox_norenumber_Works
 30: [       OK ] GenconfTest.nbox_norenumber_Works (0 ms)
 30: [ RUN      ] GenconfTest.nbox_dist_Works
-30: [       OK ] GenconfTest.nbox_dist_Works (0 ms)
+30: [       OK ] GenconfTest.nbox_dist_Works (1 ms)
 30: [ RUN      ] GenconfTest.nbox_rot_Works
 30: center of geometry: 1.733667, 1.477000, 0.905167
 30: center of geometry: 1.733667, 1.477000, 0.905167
@@ -11785,8 +11820,8 @@
 30: center of geometry: 1.733667, 1.477000, 0.905167
 30: center of geometry: 1.733667, 1.477000, 0.905167
 30: center of geometry: 1.733667, 1.477000, 0.905167
-30: [       OK ] GenconfTest.nbox_rot_Works (1 ms)
-30: [----------] 4 tests from GenconfTest (2 ms total)
+30: [       OK ] GenconfTest.nbox_rot_Works (0 ms)
+30: [----------] 4 tests from GenconfTest (1 ms total)
 30: 
 30: [----------] 2 tests from GenionTest
 30: [ RUN      ] GenionTest.HighConcentrationIonPlacement
@@ -11801,7 +11836,7 @@
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: Setting the LD random seed to -134246723
+30: Setting the LD random seed to -160778961
 30: Generated 331705 of the 331705 non-bonded parameter combinations
 30: Generating 1-4 interactions: fudge = 0.5
 30: Generated 331705 of the 331705 1-4 parameter combinations
@@ -11843,7 +11878,7 @@
 30: Will try to add 4 NA ions and 4 CL ions.
 30: Select a continuous group of solvent molecules
 30: Selected 1: 'Water'
-30: [       OK ] GenionTest.HighConcentrationIonPlacement (200 ms)
+30: [       OK ] GenionTest.HighConcentrationIonPlacement (466 ms)
 30: [ RUN      ] GenionTest.NoIonPlacement
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]:
@@ -11856,7 +11891,7 @@
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: Setting the LD random seed to -349180417
+30: Setting the LD random seed to -1811939681
 30: Generated 331705 of the 331705 non-bonded parameter combinations
 30: Generating 1-4 interactions: fudge = 0.5
 30: Generated 331705 of the 331705 1-4 parameter combinations
@@ -11879,8 +11914,8 @@
 30: There are:     1      Other residues
 30: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 30: This run will generate roughly 0 Mb of data
-30: [       OK ] GenionTest.NoIonPlacement (193 ms)
-30: [----------] 2 tests from GenionTest (393 ms total)
+30: [       OK ] GenionTest.NoIonPlacement (431 ms)
+30: [----------] 2 tests from GenionTest (897 ms total)
 30: 
 30: [----------] 1 test from GenRestrTest
 30: [ RUN      ] GenRestrTest.SimpleRestraintsGenerated
@@ -11898,8 +11933,8 @@
 30: Group     9 (    SideChain-H) has    35 elements
 30: Select a group: Select group to position restrain
 30: Selected 3: 'C-alpha'
-30: [       OK ] GenRestrTest.SimpleRestraintsGenerated (1 ms)
-30: [----------] 1 test from GenRestrTest (1 ms total)
+30: [       OK ] GenRestrTest.SimpleRestraintsGenerated (9 ms)
+30: [----------] 1 test from GenRestrTest (9 ms total)
 30: 
 30: [----------] 9 tests from PreprocessingAtomTypesTest
 30: [ RUN      ] PreprocessingAtomTypesTest.EmptyOnCreate
@@ -11920,7 +11955,7 @@
 30: [       OK ] PreprocessingAtomTypesTest.CorrectNameFromTypeNumber (0 ms)
 30: [ RUN      ] PreprocessingAtomTypesTest.NoNameFromIncorrectTypeNumber
 30: [       OK ] PreprocessingAtomTypesTest.NoNameFromIncorrectTypeNumber (0 ms)
-30: [----------] 9 tests from PreprocessingAtomTypesTest (0 ms total)
+30: [----------] 9 tests from PreprocessingAtomTypesTest (1 ms total)
 30: 
 30: [----------] 10 tests from PreprocessingBondAtomTypeTest
 30: [ RUN      ] PreprocessingBondAtomTypeTest.EmptyOnCreate
@@ -12036,7 +12071,7 @@
 30: Writing generated configuration to /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEnlargedBox_out.gro
 30: 
 30: Output configuration contains 10 atoms in 4 residues
-30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (1 ms)
+30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (0 ms)
 30: [ RUN      ] InsertMoleculesTest.InsertsMoleculesWithReplacement
 30: Reading solute configuration
 30: Initialising inter-atomic distances...
@@ -12069,7 +12104,7 @@
 30: Writing generated configuration to /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesWithReplacement_out.gro
 30: 
 30: Output configuration contains 632 atoms in 212 residues
-30: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (4 ms)
+30: [       OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (12 ms)
 30: [ RUN      ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions
 30: Initialising inter-atomic distances...
 30: 
@@ -12102,8 +12137,8 @@
 30: Writing generated configuration to /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_out.gro
 30: 
 30: Output configuration contains 6 atoms in 3 residues
-30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (1 ms)
-30: [----------] 5 tests from InsertMoleculesTest (8 ms total)
+30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (3 ms)
+30: [----------] 5 tests from InsertMoleculesTest (17 ms total)
 30: 
 30: [----------] 14 tests from GetIrTest
 30: [ RUN      ] GetIrTest.HandlesDifferentKindsOfMdpLines
@@ -12114,9 +12149,9 @@
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (1 ms)
+30: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (2 ms)
 30: [ RUN      ] GetIrTest.RejectsNonCommentLineWithNoEquals
-30: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (8 ms)
+30: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (20 ms)
 30: [ RUN      ] GetIrTest.AcceptsKeyWithoutValue
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsKeyWithoutValue_input.mdp]:
@@ -12125,16 +12160,16 @@
 30: 
 30: [       OK ] GetIrTest.AcceptsKeyWithoutValue (2 ms)
 30: [ RUN      ] GetIrTest.RejectsValueWithoutKey
-30: [       OK ] GetIrTest.RejectsValueWithoutKey (8 ms)
+30: [       OK ] GetIrTest.RejectsValueWithoutKey (14 ms)
 30: [ RUN      ] GetIrTest.RejectsEmptyKeyAndEmptyValue
-30: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (7 ms)
+30: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (15 ms)
 30: [ RUN      ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment (2 ms)
+30: [       OK ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment (1 ms)
 30: [ RUN      ] GetIrTest.AcceptsEmptyLines
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsEmptyLines_input.mdp]:
@@ -12148,23 +12183,23 @@
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsElectricField (1 ms)
+30: [       OK ] GetIrTest.AcceptsElectricField (9 ms)
 30: [ RUN      ] GetIrTest.AcceptsElectricFieldPulsed
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldPulsed_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsElectricFieldPulsed (1 ms)
+30: [       OK ] GetIrTest.AcceptsElectricFieldPulsed (2 ms)
 30: [ RUN      ] GetIrTest.AcceptsElectricFieldOscillating
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldOscillating_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsElectricFieldOscillating (2 ms)
+30: [       OK ] GetIrTest.AcceptsElectricFieldOscillating (5 ms)
 30: [ RUN      ] GetIrTest.RejectsDuplicateOldAndNewKeys
-30: [       OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (4 ms)
+30: [       OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (12 ms)
 30: [ RUN      ] GetIrTest.AcceptsImplicitSolventNo
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsImplicitSolventNo_input.mdp]:
@@ -12173,7 +12208,7 @@
 30: 
 30: [       OK ] GetIrTest.AcceptsImplicitSolventNo (2 ms)
 30: [ RUN      ] GetIrTest.RejectsImplicitSolventYes
-30: [       OK ] GetIrTest.RejectsImplicitSolventYes (8 ms)
+30: [       OK ] GetIrTest.RejectsImplicitSolventYes (14 ms)
 30: [ RUN      ] GetIrTest.AcceptsMimic
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsMimic_input.mdp]:
@@ -12181,7 +12216,7 @@
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
 30: [       OK ] GetIrTest.AcceptsMimic (2 ms)
-30: [----------] 14 tests from GetIrTest (50 ms total)
+30: [----------] 14 tests from GetIrTest (104 ms total)
 30: 
 30: [----------] 5 tests from SolvateTest
 30: [ RUN      ] SolvateTest.cs_box_Works
@@ -12221,7 +12256,7 @@
 30: Density                :     1056.36 (g/l)
 30: Number of solvent molecules:     47   
 30: 
-30: [       OK ] SolvateTest.cs_box_Works (5 ms)
+30: [       OK ] SolvateTest.cs_box_Works (13 ms)
 30: [ RUN      ] SolvateTest.cs_cp_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -12261,7 +12296,7 @@
 30: Density                :     974.777 (g/l)
 30: Number of solvent molecules:    886   
 30: 
-30: [       OK ] SolvateTest.cs_cp_Works (27 ms)
+30: [       OK ] SolvateTest.cs_cp_Works (58 ms)
 30: [ RUN      ] SolvateTest.cs_cp_p_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -12303,7 +12338,7 @@
 30: 
 30: Processing topology
 30: Adding line for 886 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_spc-and-methanol.top)
-30: [       OK ] SolvateTest.cs_cp_p_Works (25 ms)
+30: [       OK ] SolvateTest.cs_cp_p_Works (62 ms)
 30: [ RUN      ] SolvateTest.shell_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -12344,7 +12379,7 @@
 30: Density                :       279.3 (g/l)
 30: Number of solvent molecules:    252   
 30: 
-30: [       OK ] SolvateTest.shell_Works (12 ms)
+30: [       OK ] SolvateTest.shell_Works (24 ms)
 30: [ RUN      ] SolvateTest.update_Topology_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -12388,8 +12423,8 @@
 30: Processing topology
 30: Adding line for 1876 solvent molecules with resname (HOH) to topology file (/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
 30: Adding line for 2169 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
-30: [       OK ] SolvateTest.update_Topology_Works (103 ms)
-30: [----------] 5 tests from SolvateTest (172 ms total)
+30: [       OK ] SolvateTest.update_Topology_Works (235 ms)
+30: [----------] 5 tests from SolvateTest (392 ms total)
 30: 
 30: [----------] 1 test from TopDirTests
 30: [ RUN      ] TopDirTests.NamesArrayHasCorrectSize
@@ -12402,13 +12437,13 @@
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 (4 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 (11 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1
 30: Note that major changes are planned in future for editconf, to improve usability and utility.
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1 (2 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1 (3 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2
 30: Note that major changes are planned in future for editconf, to improve usability and utility.
 30: Read 252 atoms
@@ -12420,25 +12455,25 @@
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/3 (1 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/3 (9 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/4
 30: Note that major changes are planned in future for editconf, to improve usability and utility.
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/4 (1 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/4 (2 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5
 30: Note that major changes are planned in future for editconf, to improve usability and utility.
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5 (2 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5 (1 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6
 30: Note that major changes are planned in future for editconf, to improve usability and utility.
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6 (1 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6 (5 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/7
 30: Note that major changes are planned in future for editconf, to improve usability and utility.
 30: Read 252 atoms
@@ -12460,7 +12495,7 @@
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 (3 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 (11 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/1
 30: 
 30: Select a group for output:
@@ -12500,7 +12535,7 @@
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/4 (1 ms)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/4 (9 ms)
 30: [ RUN      ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/5
 30: 
 30: Select a group for output:
@@ -12540,13 +12575,13 @@
 30: Read 252 atoms
 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons
 30: No velocities found
-30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8 (1 ms)
-30: [----------] 18 tests from SinglePeptideFragments/EditconfTest (30 ms total)
+30: [       OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8 (5 ms)
+30: [----------] 18 tests from SinglePeptideFragments/EditconfTest (71 ms total)
 30: 
 30: [----------] Global test environment tear-down
-30: [==========] 69 tests from 10 test cases ran. (656 ms total)
+30: [==========] 69 tests from 10 test cases ran. (1493 ms total)
 30: [  PASSED  ] 69 tests.
-30/54 Test #30: GmxPreprocessTests ..................   Passed    0.67 sec
+30/54 Test #30: GmxPreprocessTests ..................   Passed    1.53 sec
 test 31
       Start 31: Pdb2gmx1Test
 
@@ -12613,7 +12648,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 (78 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 (67 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -12673,7 +12708,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 (48 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 (76 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -12731,7 +12766,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 (35 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 (75 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -12789,7 +12824,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 (32 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 (64 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -12851,7 +12886,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 (37 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 (78 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -12914,7 +12949,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 (82 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -12975,7 +13010,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 (38 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 (79 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13036,7 +13071,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 (35 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 (67 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13095,7 +13130,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 (34 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 (72 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13155,7 +13190,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 (39 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 (83 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13213,7 +13248,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 (35 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 (64 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13271,7 +13306,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 (32 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 (72 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13333,7 +13368,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 (37 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 (74 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13396,7 +13431,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 (78 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13457,7 +13492,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 (38 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 (83 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13518,7 +13553,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 (35 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 (67 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13577,7 +13612,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16 (34 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16 (75 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13637,7 +13672,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 (39 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 (82 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13695,7 +13730,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 (35 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 (77 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13753,7 +13788,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19 (32 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19 (64 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13815,7 +13850,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 (37 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 (74 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13878,7 +13913,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 (86 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -13939,7 +13974,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22 (38 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22 (60 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -14000,13 +14035,13 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23 (35 ms)
-31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest (926 ms total)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23 (46 ms)
+31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest (1751 ms total)
 31: 
 31: [----------] Global test environment tear-down
-31: [==========] 24 tests from 1 test case ran. (926 ms total)
+31: [==========] 24 tests from 1 test case ran. (1751 ms total)
 31: [  PASSED  ] 24 tests.
-31/54 Test #31: Pdb2gmx1Test ........................   Passed    0.94 sec
+31/54 Test #31: Pdb2gmx1Test ........................   Passed    1.78 sec
 test 32
       Start 32: Pdb2gmx2Test
 
@@ -14088,7 +14123,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 (60 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 (54 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14163,7 +14198,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 (40 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 (65 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14236,7 +14271,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 (26 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 (61 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14309,7 +14344,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 (23 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 (50 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14386,7 +14421,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 (23 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 (56 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14464,7 +14499,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 (28 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 (61 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14540,7 +14575,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 (25 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 (61 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14616,7 +14651,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 (22 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 (51 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14690,7 +14725,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 (23 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 (55 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14765,7 +14800,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 (27 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 (64 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14838,7 +14873,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 (38 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14911,7 +14946,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 (21 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 (26 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -14988,7 +15023,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 (28 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15066,7 +15101,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 (29 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 (33 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15142,7 +15177,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 (28 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15218,8 +15253,8 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 (23 ms)
-32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest (442 ms total)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 (25 ms)
+32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest (756 ms total)
 32: 
 32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -15299,7 +15334,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 (25 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 (26 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15378,7 +15413,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 (29 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 (30 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15455,7 +15490,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 (27 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15532,7 +15567,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 (23 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 (25 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15613,7 +15648,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 (27 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15695,7 +15730,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 (31 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 (32 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15775,7 +15810,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 (28 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -15933,7 +15968,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 (25 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 (26 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -16012,7 +16047,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 (29 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 (30 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -16089,7 +16124,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 (25 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 (50 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -16166,7 +16201,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 (24 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 (66 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -16247,7 +16282,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 (54 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -16329,7 +16364,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 (30 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 (74 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -16409,7 +16444,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 (27 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 (59 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -16489,13 +16524,13 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 (24 ms)
-32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest (422 ms total)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 (57 ms)
+32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest (637 ms total)
 32: 
 32: [----------] Global test environment tear-down
-32: [==========] 32 tests from 2 test cases ran. (864 ms total)
+32: [==========] 32 tests from 2 test cases ran. (1393 ms total)
 32: [  PASSED  ] 32 tests.
-32/54 Test #32: Pdb2gmx2Test ........................   Passed    0.88 sec
+32/54 Test #32: Pdb2gmx2Test ........................   Passed    1.43 sec
 test 33
       Start 33: Pdb2gmx3Test
 
@@ -16571,7 +16606,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/0 (77 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/0 (33 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -16640,7 +16675,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 (47 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 (37 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -16707,7 +16742,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2 (36 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2 (33 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -16774,7 +16809,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 (31 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 (29 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -16845,7 +16880,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4 (37 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4 (34 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -16917,7 +16952,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 (42 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 (39 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -16987,7 +17022,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6 (38 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6 (37 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -17057,8 +17092,8 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 (35 ms)
-33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest (343 ms total)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 (32 ms)
+33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest (275 ms total)
 33: 
 33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -17359,7 +17394,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 (32 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 (31 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -17437,7 +17472,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 (36 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 (37 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -17516,7 +17551,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 (41 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 (40 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -17593,7 +17628,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 (39 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 (38 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -17671,7 +17706,7 @@
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
 33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7 (34 ms)
-33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest (289 ms total)
+33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest (287 ms total)
 33: 
 33: [----------] 8 tests from ChainSep/Pdb2gmxTest
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -17759,7 +17794,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 (35 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 (34 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -17894,7 +17929,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1 (25 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1 (26 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -17980,7 +18015,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 (34 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 (35 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -18115,7 +18150,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 (24 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 (25 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -18557,7 +18592,7 @@
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
 33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7 (26 ms)
-33: [----------] 8 tests from ChainSep/Pdb2gmxTest (239 ms total)
+33: [----------] 8 tests from ChainSep/Pdb2gmxTest (240 ms total)
 33: 
 33: [----------] 4 tests from ChainChanges/Pdb2gmxTest
 33: [ RUN      ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -18658,7 +18693,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0 (16 ms)
+33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0 (18 ms)
 33: [ RUN      ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/1
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -18856,7 +18891,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/2 (16 ms)
+33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/2 (17 ms)
 33: [ RUN      ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -18955,13 +18990,13 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 (17 ms)
-33: [----------] 4 tests from ChainChanges/Pdb2gmxTest (66 ms total)
+33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 (16 ms)
+33: [----------] 4 tests from ChainChanges/Pdb2gmxTest (68 ms total)
 33: 
 33: [----------] Global test environment tear-down
-33: [==========] 28 tests from 4 test cases ran. (937 ms total)
+33: [==========] 28 tests from 4 test cases ran. (870 ms total)
 33: [  PASSED  ] 28 tests.
-33/54 Test #33: Pdb2gmx3Test ........................   Passed    0.96 sec
+33/54 Test #33: Pdb2gmx3Test ........................   Passed    0.89 sec
 test 34
       Start 34: CorrelationsTest
 
@@ -18971,31 +19006,31 @@
 34: [----------] Global test environment set-up.
 34: [----------] 10 tests from AutocorrTest
 34: [ RUN      ] AutocorrTest.EacNormal
-34: [       OK ] AutocorrTest.EacNormal (12 ms)
+34: [       OK ] AutocorrTest.EacNormal (33 ms)
 34: [ RUN      ] AutocorrTest.EacNoNormalize
-34: [       OK ] AutocorrTest.EacNoNormalize (9 ms)
+34: [       OK ] AutocorrTest.EacNoNormalize (32 ms)
 34: [ RUN      ] AutocorrTest.EacCos
-34: [       OK ] AutocorrTest.EacCos (17 ms)
+34: [       OK ] AutocorrTest.EacCos (51 ms)
 34: [ RUN      ] AutocorrTest.EacVector
-34: [       OK ] AutocorrTest.EacVector (26 ms)
+34: [       OK ] AutocorrTest.EacVector (83 ms)
 34: [ RUN      ] AutocorrTest.EacRcross
 34: [       OK ] AutocorrTest.EacRcross (1 ms)
 34: [ RUN      ] AutocorrTest.EacP0
-34: [       OK ] AutocorrTest.EacP0 (28 ms)
+34: [       OK ] AutocorrTest.EacP0 (100 ms)
 34: [ RUN      ] AutocorrTest.EacP1
-34: [       OK ] AutocorrTest.EacP1 (27 ms)
+34: [       OK ] AutocorrTest.EacP1 (92 ms)
 34: [ RUN      ] AutocorrTest.EacP2
-34: [       OK ] AutocorrTest.EacP2 (54 ms)
+34: [       OK ] AutocorrTest.EacP2 (179 ms)
 34: [ RUN      ] AutocorrTest.EacP3
-34: [       OK ] AutocorrTest.EacP3 (5 ms)
+34: [       OK ] AutocorrTest.EacP3 (2 ms)
 34: [ RUN      ] AutocorrTest.EacP4
-34: [       OK ] AutocorrTest.EacP4 (26 ms)
-34: [----------] 10 tests from AutocorrTest (209 ms total)
+34: [       OK ] AutocorrTest.EacP4 (122 ms)
+34: [----------] 10 tests from AutocorrTest (696 ms total)
 34: 
 34: [----------] 1 test from ManyAutocorrelationTest
 34: [ RUN      ] ManyAutocorrelationTest.Empty
-34: [       OK ] ManyAutocorrelationTest.Empty (0 ms)
-34: [----------] 1 test from ManyAutocorrelationTest (0 ms total)
+34: [       OK ] ManyAutocorrelationTest.Empty (1 ms)
+34: [----------] 1 test from ManyAutocorrelationTest (1 ms total)
 34: 
 34: [----------] 10 tests from ExpfitTest
 34: [ RUN      ] ExpfitTest.EffnEXP1
@@ -19003,27 +19038,27 @@
 34: [ RUN      ] ExpfitTest.EffnEXP2
 34: [       OK ] ExpfitTest.EffnEXP2 (1 ms)
 34: [ RUN      ] ExpfitTest.EffnEXPEXP
-34: [       OK ] ExpfitTest.EffnEXPEXP (2 ms)
+34: [       OK ] ExpfitTest.EffnEXPEXP (0 ms)
 34: [ RUN      ] ExpfitTest.EffnEXP5
-34: [       OK ] ExpfitTest.EffnEXP5 (5 ms)
+34: [       OK ] ExpfitTest.EffnEXP5 (2 ms)
 34: [ RUN      ] ExpfitTest.EffnEXP7
-34: [       OK ] ExpfitTest.EffnEXP7 (4 ms)
+34: [       OK ] ExpfitTest.EffnEXP7 (2 ms)
 34: [ RUN      ] ExpfitTest.EffnEXP9
-34: [       OK ] ExpfitTest.EffnEXP9 (24 ms)
+34: [       OK ] ExpfitTest.EffnEXP9 (20 ms)
 34: [ RUN      ] ExpfitTest.EffnERF
-34: [       OK ] ExpfitTest.EffnERF (2 ms)
+34: [       OK ] ExpfitTest.EffnERF (9 ms)
 34: [ RUN      ] ExpfitTest.EffnERREST
 34: [       OK ] ExpfitTest.EffnERREST (1 ms)
 34: [ RUN      ] ExpfitTest.EffnVAC
-34: [       OK ] ExpfitTest.EffnVAC (5 ms)
+34: [       OK ] ExpfitTest.EffnVAC (2 ms)
 34: [ RUN      ] ExpfitTest.EffnPRES
-34: [       OK ] ExpfitTest.EffnPRES (13 ms)
-34: [----------] 10 tests from ExpfitTest (57 ms total)
+34: [       OK ] ExpfitTest.EffnPRES (14 ms)
+34: [----------] 10 tests from ExpfitTest (51 ms total)
 34: 
 34: [----------] Global test environment tear-down
-34: [==========] 21 tests from 3 test cases ran. (273 ms total)
+34: [==========] 21 tests from 3 test cases ran. (750 ms total)
 34: [  PASSED  ] 21 tests.
-34/54 Test #34: CorrelationsTest ....................   Passed    0.29 sec
+34/54 Test #34: CorrelationsTest ....................   Passed    0.76 sec
 test 35
       Start 35: AnalysisDataUnitTests
 
@@ -19048,16 +19083,16 @@
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly
 35: [       OK ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames
-35: [       OK ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames (0 ms)
+35: [       OK ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.FullStorageWorks
 35: [       OK ] AnalysisDataCommonTest/0.FullStorageWorks (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData
-35: [       OK ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData (1 ms)
+35: [       OK ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.LimitedStorageWorks
 35: [       OK ] AnalysisDataCommonTest/0.LimitedStorageWorks (0 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/0 (3 ms total)
+35: [----------] 8 tests from AnalysisDataCommonTest/0 (2 ms total)
 35: 
 35: [----------] 8 tests from AnalysisDataCommonTest/1, where TypeParam = (anonymous namespace)::DataSetsInputData
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsModuleCorrectly
@@ -19065,45 +19100,45 @@
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly
 35: [       OK ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly
-35: [       OK ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly (0 ms)
+35: [       OK ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames
-35: [       OK ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms)
+35: [       OK ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.FullStorageWorks
-35: [       OK ] AnalysisDataCommonTest/1.FullStorageWorks (0 ms)
+35: [       OK ] AnalysisDataCommonTest/1.FullStorageWorks (8 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData
 35: [       OK ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.LimitedStorageWorks
-35: [       OK ] AnalysisDataCommonTest/1.LimitedStorageWorks (0 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/1 (2 ms total)
+35: [       OK ] AnalysisDataCommonTest/1.LimitedStorageWorks (1 ms)
+35: [----------] 8 tests from AnalysisDataCommonTest/1 (10 ms total)
 35: 
 35: [----------] 8 tests from AnalysisDataCommonTest/2, where TypeParam = (anonymous namespace)::MultipointInputData
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/2.CallsModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly
 35: [       OK ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly
-35: [       OK ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly (0 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames
-35: [       OK ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.FullStorageWorks
 35: [       OK ] AnalysisDataCommonTest/2.FullStorageWorks (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData
 35: [       OK ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.LimitedStorageWorks
-35: [       OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (1 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/2 (4 ms total)
+35: [       OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (0 ms)
+35: [----------] 8 tests from AnalysisDataCommonTest/2 (1 ms total)
 35: 
 35: [----------] 8 tests from AnalysisDataCommonTest/3, where TypeParam = (anonymous namespace)::MultipointDataSetsInputData
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/3.CallsModuleCorrectly (0 ms)
+35: [       OK ] AnalysisDataCommonTest/3.CallsModuleCorrectly (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly
 35: [       OK ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly
-35: [       OK ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly
 35: [       OK ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames
@@ -19113,41 +19148,41 @@
 35: [ RUN      ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData
 35: [       OK ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.LimitedStorageWorks
-35: [       OK ] AnalysisDataCommonTest/3.LimitedStorageWorks (1 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/3 (3 ms total)
+35: [       OK ] AnalysisDataCommonTest/3.LimitedStorageWorks (0 ms)
+35: [----------] 8 tests from AnalysisDataCommonTest/3 (2 ms total)
 35: 
 35: [----------] 4 tests from AnalysisArrayDataTest
 35: [ RUN      ] AnalysisArrayDataTest.CallsModuleCorrectly
 35: [       OK ] AnalysisArrayDataTest.CallsModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisArrayDataTest.StorageWorks
-35: [       OK ] AnalysisArrayDataTest.StorageWorks (0 ms)
+35: [       OK ] AnalysisArrayDataTest.StorageWorks (1 ms)
 35: [ RUN      ] AnalysisArrayDataTest.CanSetXAxis
 35: [       OK ] AnalysisArrayDataTest.CanSetXAxis (0 ms)
 35: [ RUN      ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount
 35: [       OK ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount (0 ms)
-35: [----------] 4 tests from AnalysisArrayDataTest (0 ms total)
+35: [----------] 4 tests from AnalysisArrayDataTest (1 ms total)
 35: 
 35: [----------] 6 tests from AverageModuleTest
 35: [ RUN      ] AverageModuleTest.BasicTest
-35: [       OK ] AverageModuleTest.BasicTest (1 ms)
+35: [       OK ] AverageModuleTest.BasicTest (0 ms)
 35: [ RUN      ] AverageModuleTest.HandlesMultipointData
-35: [       OK ] AverageModuleTest.HandlesMultipointData (1 ms)
+35: [       OK ] AverageModuleTest.HandlesMultipointData (0 ms)
 35: [ RUN      ] AverageModuleTest.HandlesMultipleDataSets
-35: [       OK ] AverageModuleTest.HandlesMultipleDataSets (0 ms)
+35: [       OK ] AverageModuleTest.HandlesMultipleDataSets (1 ms)
 35: [ RUN      ] AverageModuleTest.HandlesDataSetAveraging
-35: [       OK ] AverageModuleTest.HandlesDataSetAveraging (1 ms)
+35: [       OK ] AverageModuleTest.HandlesDataSetAveraging (0 ms)
 35: [ RUN      ] AverageModuleTest.CanCustomizeXAxis
 35: [       OK ] AverageModuleTest.CanCustomizeXAxis (0 ms)
 35: [ RUN      ] AverageModuleTest.CanCustomizeNonUniformXAxis
 35: [       OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (1 ms)
-35: [----------] 6 tests from AverageModuleTest (4 ms total)
+35: [----------] 6 tests from AverageModuleTest (2 ms total)
 35: 
 35: [----------] 2 tests from FrameAverageModuleTest
 35: [ RUN      ] FrameAverageModuleTest.BasicTest
 35: [       OK ] FrameAverageModuleTest.BasicTest (0 ms)
 35: [ RUN      ] FrameAverageModuleTest.HandlesMultipleDataSets
-35: [       OK ] FrameAverageModuleTest.HandlesMultipleDataSets (1 ms)
-35: [----------] 2 tests from FrameAverageModuleTest (1 ms total)
+35: [       OK ] FrameAverageModuleTest.HandlesMultipleDataSets (0 ms)
+35: [----------] 2 tests from FrameAverageModuleTest (0 ms total)
 35: 
 35: [----------] 7 tests from AnalysisHistogramSettingsTest
 35: [ RUN      ] AnalysisHistogramSettingsTest.InitializesFromBins
@@ -19170,51 +19205,51 @@
 35: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectly
 35: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (1 ms)
 35: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll
-35: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
-35: [----------] 2 tests from SimpleHistogramModuleTest (2 ms total)
+35: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (9 ms)
+35: [----------] 2 tests from SimpleHistogramModuleTest (10 ms total)
 35: 
 35: [----------] 3 tests from WeightedHistogramModuleTest
 35: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectly
-35: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (1 ms)
+35: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (0 ms)
 35: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll
-35: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (0 ms)
+35: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
 35: [ RUN      ] WeightedHistogramModuleTest.HandlesMultipleDataSets
 35: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (0 ms)
-35: [----------] 3 tests from WeightedHistogramModuleTest (2 ms total)
+35: [----------] 3 tests from WeightedHistogramModuleTest (1 ms total)
 35: 
 35: [----------] 3 tests from BinAverageModuleTest
 35: [ RUN      ] BinAverageModuleTest.ComputesCorrectly
 35: [       OK ] BinAverageModuleTest.ComputesCorrectly (1 ms)
 35: [ RUN      ] BinAverageModuleTest.ComputesCorrectlyWithAll
-35: [       OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (1 ms)
+35: [       OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (0 ms)
 35: [ RUN      ] BinAverageModuleTest.HandlesMultipleDataSets
 35: [       OK ] BinAverageModuleTest.HandlesMultipleDataSets (0 ms)
-35: [----------] 3 tests from BinAverageModuleTest (3 ms total)
+35: [----------] 3 tests from BinAverageModuleTest (1 ms total)
 35: 
 35: [----------] 4 tests from AbstractAverageHistogramTest
 35: [ RUN      ] AbstractAverageHistogramTest.ClonesCorrectly
-35: [       OK ] AbstractAverageHistogramTest.ClonesCorrectly (0 ms)
+35: [       OK ] AbstractAverageHistogramTest.ClonesCorrectly (1 ms)
 35: [ RUN      ] AbstractAverageHistogramTest.ComputesCumulativeHistogram
-35: [       OK ] AbstractAverageHistogramTest.ComputesCumulativeHistogram (1 ms)
+35: [       OK ] AbstractAverageHistogramTest.ComputesCumulativeHistogram (5 ms)
 35: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth
-35: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (1 ms)
+35: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (0 ms)
 35: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins
 35: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins (1 ms)
-35: [----------] 4 tests from AbstractAverageHistogramTest (3 ms total)
+35: [----------] 4 tests from AbstractAverageHistogramTest (7 ms total)
 35: 
 35: [----------] 3 tests from LifetimeModuleTest
 35: [ RUN      ] LifetimeModuleTest.BasicTest
-35: [       OK ] LifetimeModuleTest.BasicTest (1 ms)
+35: [       OK ] LifetimeModuleTest.BasicTest (0 ms)
 35: [ RUN      ] LifetimeModuleTest.CumulativeTest
 35: [       OK ] LifetimeModuleTest.CumulativeTest (0 ms)
 35: [ RUN      ] LifetimeModuleTest.HandlesMultipleDataSets
 35: [       OK ] LifetimeModuleTest.HandlesMultipleDataSets (1 ms)
-35: [----------] 3 tests from LifetimeModuleTest (2 ms total)
+35: [----------] 3 tests from LifetimeModuleTest (1 ms total)
 35: 
 35: [----------] Global test environment tear-down
-35: [==========] 69 tests from 14 test cases ran. (29 ms total)
+35: [==========] 69 tests from 14 test cases ran. (38 ms total)
 35: [  PASSED  ] 69 tests.
-35/54 Test #35: AnalysisDataUnitTests ...............   Passed    0.04 sec
+35/54 Test #35: AnalysisDataUnitTests ...............   Passed    0.08 sec
 test 36
       Start 36: CoordinateIOTests
 
@@ -19232,8 +19267,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (9 ms)
-36: [----------] 1 test from OutputSelectorDeathTest (9 ms total)
+36: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (19 ms)
+36: [----------] 1 test from OutputSelectorDeathTest (19 ms total)
 36: 
 36: [----------] 5 tests from TrajectoryFrameWriterTest
 36: [ RUN      ] TrajectoryFrameWriterTest.RejectsWrongFiletype
@@ -19245,7 +19280,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (5 ms)
+36: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (3 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19255,7 +19290,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (6 ms)
+36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (1 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19265,7 +19300,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (5 ms)
+36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (2 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19283,10 +19318,10 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (11 ms)
+36: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (12 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.TNGOutputWorks
 36: [       OK ] TrajectoryFrameWriterTest.TNGOutputWorks (0 ms)
-36: [----------] 5 tests from TrajectoryFrameWriterTest (27 ms total)
+36: [----------] 5 tests from TrajectoryFrameWriterTest (18 ms total)
 36: 
 36: [----------] 5 tests from OutputAdapterContainer
 36: [ RUN      ] OutputAdapterContainer.MakeEmpty
@@ -19324,7 +19359,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.RemovesExistingAtoms (6 ms)
+36: [       OK ] SetAtomsTest.RemovesExistingAtoms (2 ms)
 36: [ RUN      ] SetAtomsTest.AddsNewAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19334,7 +19369,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.AddsNewAtoms (5 ms)
+36: [       OK ] SetAtomsTest.AddsNewAtoms (2 ms)
 36: [ RUN      ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19344,7 +19379,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (4 ms)
+36: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (2 ms)
 36: [ RUN      ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19354,7 +19389,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (5 ms)
+36: [       OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (10 ms)
 36: [ RUN      ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19364,8 +19399,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (3 ms)
-36: [----------] 5 tests from SetAtomsTest (24 ms total)
+36: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (2 ms)
+36: [----------] 5 tests from SetAtomsTest (18 ms total)
 36: 
 36: [----------] 2 tests from SetBothTimeTest
 36: [ RUN      ] SetBothTimeTest.StartTimeZeroWorks
@@ -19396,7 +19431,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (3 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (2 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19406,7 +19441,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (4 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (1 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19416,7 +19451,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (4 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (10 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19426,7 +19461,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (3 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (2 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19436,7 +19471,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (3 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (2 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19446,8 +19481,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (3 ms)
-36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (20 ms total)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (2 ms)
+36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (19 ms total)
 36: 
 36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles
 36: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/0
@@ -19459,7 +19494,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (3 ms)
+36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (10 ms)
 36: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19469,7 +19504,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (3 ms)
+36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (2 ms)
 36: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19479,8 +19514,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (3 ms)
-36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (9 ms total)
+36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (2 ms)
+36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (14 ms total)
 36: 
 36: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles
 36: [ RUN      ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0
@@ -19509,7 +19544,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (6 ms)
+36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (12 ms)
 36: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19527,7 +19562,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (5 ms)
+36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (4 ms)
 36: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19545,7 +19580,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (5 ms)
+36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (12 ms)
 36: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/3
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19564,7 +19599,7 @@
 36:          files if necessary.
 36: 
 36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (4 ms)
-36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (20 ms total)
+36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (32 ms total)
 36: 
 36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles
 36: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/0
@@ -19576,7 +19611,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/0 (3 ms)
+36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/0 (1 ms)
 36: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19586,7 +19621,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (2 ms)
+36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (6 ms)
 36: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19597,7 +19632,7 @@
 36:          files if necessary.
 36: 
 36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (2 ms)
-36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (7 ms total)
+36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (9 ms total)
 36: 
 36: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles
 36: [ RUN      ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0
@@ -19618,7 +19653,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (2 ms)
+36: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (10 ms)
 36: [ RUN      ] ModuleSupported/SetForceSupportedFiles.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19629,7 +19664,7 @@
 36:          files if necessary.
 36: 
 36: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (2 ms)
-36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (4 ms total)
+36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (12 ms total)
 36: 
 36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles
 36: [ RUN      ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0
@@ -19669,12 +19704,12 @@
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0
 36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0 (0 ms)
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1
-36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1 (1 ms)
+36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1 (0 ms)
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2
 36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2 (0 ms)
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3
 36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3 (0 ms)
-36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles (1 ms total)
+36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles (0 ms total)
 36: 
 36: [----------] 4 tests from ModuleSupported/NoOptionalOutput
 36: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/0
@@ -19686,7 +19721,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/NoOptionalOutput.Works/0 (2 ms)
+36: [       OK ] ModuleSupported/NoOptionalOutput.Works/0 (10 ms)
 36: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19696,7 +19731,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/NoOptionalOutput.Works/1 (1 ms)
+36: [       OK ] ModuleSupported/NoOptionalOutput.Works/1 (2 ms)
 36: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19706,7 +19741,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/NoOptionalOutput.Works/2 (3 ms)
+36: [       OK ] ModuleSupported/NoOptionalOutput.Works/2 (2 ms)
 36: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/3
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -19716,13 +19751,13 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (1 ms)
-36: [----------] 4 tests from ModuleSupported/NoOptionalOutput (7 ms total)
+36: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (2 ms)
+36: [----------] 4 tests from ModuleSupported/NoOptionalOutput (16 ms total)
 36: 
 36: [----------] Global test environment tear-down
-36: [==========] 64 tests from 19 test cases ran. (132 ms total)
+36: [==========] 64 tests from 19 test cases ran. (161 ms total)
 36: [  PASSED  ] 64 tests.
-36/54 Test #36: CoordinateIOTests ...................   Passed    0.15 sec
+36/54 Test #36: CoordinateIOTests ...................   Passed    0.19 sec
 test 37
       Start 37: TrajectoryAnalysisUnitTests
 
@@ -19766,7 +19801,7 @@
 37: Total number of atoms in clusters =  8
 37: cmid: 1, cmax: 6, max_size: 2
 37:  50%100%cmid: 2, cmax: 6, max_size: 2
-37:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (0 ms)
+37:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (1 ms)
 37: [ RUN      ] ClustsizeTest.MolCSize
 37: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -19775,7 +19810,7 @@
 37: Total number of atoms in clusters =  8
 37: cmid: 2, cmax: 4, max_size: 2
 37:  50%100%cmid: 2, cmax: 6, max_size: 2
-37:  50%100%[       OK ] ClustsizeTest.MolCSize (1 ms)
+37:  50%100%[       OK ] ClustsizeTest.MolCSize (0 ms)
 37: [----------] 5 tests from ClustsizeTest (4 ms total)
 37: 
 37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest
@@ -19799,7 +19834,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (1 ms)
+37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (10 ms)
 37: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset
 37: Reading frames from gro file 'Test system', 8 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -19816,10 +19851,10 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (2 ms)
+37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (1 ms)
 37: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory
-37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (0 ms)
-37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (4 ms total)
+37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (1 ms)
+37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (13 ms total)
 37: 
 37: [----------] 11 tests from AngleModuleTest
 37: [ RUN      ] AngleModuleTest.ComputesSimpleAngles
@@ -19838,7 +19873,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesSimpleAngles (2 ms)
+37: [       OK ] AngleModuleTest.ComputesSimpleAngles (10 ms)
 37: [ RUN      ] AngleModuleTest.ComputesDihedrals
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -19855,7 +19890,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesDihedrals (2 ms)
+37: [       OK ] AngleModuleTest.ComputesDihedrals (1 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorPairAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -19872,7 +19907,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesVectorPairAngles (1 ms)
+37: [       OK ] AngleModuleTest.ComputesVectorPairAngles (2 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorPlanePairAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -19906,7 +19941,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (2 ms)
+37: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (1 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -19923,7 +19958,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (1 ms)
+37: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (10 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorTimeZeroAngles
 37: Reading frames from gro file 'Test system for different angles', 33 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -19959,7 +19994,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesMultipleAngles (2 ms)
+37: [       OK ] AngleModuleTest.ComputesMultipleAngles (6 ms)
 37: [ RUN      ] AngleModuleTest.HandlesDynamicSelections
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -19993,7 +20028,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (2 ms)
+37: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (9 ms)
 37: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20010,8 +20045,8 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (2 ms)
-37: [----------] 11 tests from AngleModuleTest (19 ms total)
+37: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (1 ms)
+37: [----------] 11 tests from AngleModuleTest (47 ms total)
 37: 
 37: [----------] 4 tests from ConvertTrjModuleTest
 37: [ RUN      ] ConvertTrjModuleTest.WritesNormalOutput
@@ -20019,20 +20054,20 @@
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 37: Analyzed 1 frames, last time 0.000
-37: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (5 ms)
+37: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (6 ms)
 37: [ RUN      ] ConvertTrjModuleTest.WritesAtomSubset
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 37: Analyzed 1 frames, last time 0.000
-37: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (5 ms)
+37: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (18 ms)
 37: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomAdding
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading frames from pdb file
Reading frame       0 time    0.000    '', 24 atoms
 37: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 37: Analyzed 2 frames, last time 0.000
-37: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (0 ms)
+37: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (1 ms)
 37: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomsAndSelection
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -20040,7 +20075,7 @@
 37: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 37: Analyzed 2 frames, last time 0.000
 37: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (1 ms)
-37: [----------] 4 tests from ConvertTrjModuleTest (12 ms total)
+37: [----------] 4 tests from ConvertTrjModuleTest (26 ms total)
 37: 
 37: [----------] 3 tests from DistanceModuleTest
 37: [ RUN      ] DistanceModuleTest.ComputesDistances
@@ -20063,7 +20098,7 @@
 37:   Number of samples:  5
 37:   Average distance:   1.43246  nm
 37:   Standard deviation: 0.96700  nm
-37: [       OK ] DistanceModuleTest.ComputesDistances (2 ms)
+37: [       OK ] DistanceModuleTest.ComputesDistances (10 ms)
 37: [ RUN      ] DistanceModuleTest.ComputesMultipleDistances
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20088,7 +20123,7 @@
 37:   Number of samples:  4
 37:   Average distance:   1.81066  nm
 37:   Standard deviation: 0.79289  nm
-37: [       OK ] DistanceModuleTest.ComputesMultipleDistances (3 ms)
+37: [       OK ] DistanceModuleTest.ComputesMultipleDistances (2 ms)
 37: [ RUN      ] DistanceModuleTest.HandlesDynamicSelections
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20110,7 +20145,7 @@
 37:   Average distance:   1.72076  nm
 37:   Standard deviation: 1.24839  nm
 37: [       OK ] DistanceModuleTest.HandlesDynamicSelections (2 ms)
-37: [----------] 3 tests from DistanceModuleTest (7 ms total)
+37: [----------] 3 tests from DistanceModuleTest (14 ms total)
 37: 
 37: [----------] 2 tests from ExtractClusterModuleTest
 37: [ RUN      ] ExtractClusterModuleTest.WorksWithAllAtoms
@@ -20123,8 +20158,8 @@
 37: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.002   
Reading frame       2 time    0.004   
Reading frame       3 time    0.006   
Reading frame       4 time    0.008   
Reading frame       5 time    0.010   
Reading frame       6 time    0.012   
Reading frame       7 time    0.014   
Reading frame       8 time    0.016   
Reading frame       9 time    0.018   
Reading frame      10 time    0.020   
Reading frame      11 time    0.022   
Reading frame      12 time    0.024   
Reading frame      13 time    0.026   
Reading frame      14 time    0.028   
Reading frame      15 time    0.030   
Reading frame      16 time    0.032   
Reading frame      17 time    0.034   
Reading frame      18 time    0.036   
Reading frame      19 time    0.038   
Reading frame      20 time    0.040   
 37: Analyzed 26 frames, last time 0.050
 37: There are 8 clusters containing 26 structures, highest framenr is 25
-37: [       OK ] ExtractClusterModuleTest.WorksWithAtomSubset (1 ms)
-37: [----------] 2 tests from ExtractClusterModuleTest (2 ms total)
+37: [       OK ] ExtractClusterModuleTest.WorksWithAtomSubset (10 ms)
+37: [----------] 2 tests from ExtractClusterModuleTest (11 ms total)
 37: 
 37: [----------] 2 tests from FreeVolumeModuleTest
 37: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolume
@@ -20188,7 +20223,7 @@
 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 37: Molecular van der Waals volume assuming homogeneity:  0.1256 +/- 0.0000 nm^3
 37: Fractional free volume 0.194 +/- 0.000
-37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (50 ms)
+37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (119 ms)
 37: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolumeSelection
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
@@ -20240,8 +20275,8 @@
 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 37: Molecular van der Waals volume assuming homogeneity:  0.1247 +/- 0.0000 nm^3
 37: Fractional free volume 0.200 +/- 0.000
-37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (50 ms)
-37: [----------] 2 tests from FreeVolumeModuleTest (100 ms total)
+37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (112 ms)
+37: [----------] 2 tests from FreeVolumeModuleTest (231 ms total)
 37: 
 37: [----------] 9 tests from PairDistanceModuleTest
 37: [ RUN      ] PairDistanceModuleTest.ComputesAllDistances
@@ -20260,7 +20295,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesAllDistances (1 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesAllDistances (2 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20277,7 +20312,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff (1 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20294,7 +20329,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (10 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesMaxDistance
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20311,7 +20346,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesMaxDistance (1 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesMaxDistance (2 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20328,7 +20363,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff (6 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20379,7 +20414,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (2 ms)
+37: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (10 ms)
 37: [ RUN      ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20397,7 +20432,7 @@
 37:          files if necessary.
 37: 
 37: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (1 ms)
-37: [----------] 9 tests from PairDistanceModuleTest (14 ms total)
+37: [----------] 9 tests from PairDistanceModuleTest (35 ms total)
 37: 
 37: [----------] 5 tests from RdfModuleTest
 37: [ RUN      ] RdfModuleTest.BasicTest
@@ -20416,12 +20451,12 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.BasicTest (14 ms)
+37: [       OK ] RdfModuleTest.BasicTest (30 ms)
 37: [ RUN      ] RdfModuleTest.SelectionsSolelyFromIndexFileWork
 37: Reading frames from gro file '216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984', 648 atoms.
 37: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 37: Analyzed 1 frames, last time 0.000
-37: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (8 ms)
+37: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (21 ms)
 37: [ RUN      ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20438,7 +20473,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (14 ms)
+37: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (29 ms)
 37: [ RUN      ] RdfModuleTest.CalculatesSurf
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20455,7 +20490,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.CalculatesSurf (8 ms)
+37: [       OK ] RdfModuleTest.CalculatesSurf (20 ms)
 37: [ RUN      ] RdfModuleTest.CalculatesXY
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20472,8 +20507,8 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.CalculatesXY (15 ms)
-37: [----------] 5 tests from RdfModuleTest (59 ms total)
+37: [       OK ] RdfModuleTest.CalculatesXY (35 ms)
+37: [----------] 5 tests from RdfModuleTest (136 ms total)
 37: 
 37: [----------] 5 tests from SasaModuleTest
 37: [ RUN      ] SasaModuleTest.BasicTest
@@ -20520,7 +20555,7 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.BasicTest (7 ms)
+37: [       OK ] SasaModuleTest.BasicTest (15 ms)
 37: [ RUN      ] SasaModuleTest.HandlesSelectedResidues
 37: 
 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -20565,7 +20600,7 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.HandlesSelectedResidues (5 ms)
+37: [       OK ] SasaModuleTest.HandlesSelectedResidues (9 ms)
 37: [ RUN      ] SasaModuleTest.WritesConnollySurfaceWithSolute
 37: 
 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -20610,7 +20645,7 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (3 ms)
+37: [       OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (12 ms)
 37: [ RUN      ] SasaModuleTest.HandlesDynamicOutputGroup
 37: 
 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -20655,7 +20690,7 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (5 ms)
+37: [       OK ] SasaModuleTest.HandlesDynamicOutputGroup (4 ms)
 37: [ RUN      ] SasaModuleTest.HandlesDynamicCalculationGroup
 37: 
 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -20700,8 +20735,8 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (5 ms)
-37: [----------] 5 tests from SasaModuleTest (25 ms total)
+37: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (17 ms)
+37: [----------] 5 tests from SasaModuleTest (58 ms total)
 37: 
 37: [----------] 8 tests from SelectModuleTest
 37: [ RUN      ] SelectModuleTest.BasicTest
@@ -20741,7 +20776,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (2 ms)
+37: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (10 ms)
 37: [ RUN      ] SelectModuleTest.HandlesPDBOutputWithPDBInput
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -20760,7 +20795,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (3 ms)
+37: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (2 ms)
 37: [ RUN      ] SelectModuleTest.HandlesMaxPDBOutput
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -20779,7 +20814,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.HandlesMaxPDBOutput (2 ms)
+37: [       OK ] SelectModuleTest.HandlesMaxPDBOutput (3 ms)
 37: [ RUN      ] SelectModuleTest.HandlesSelectedPDBOutput
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -20798,7 +20833,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (2 ms)
+37: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (10 ms)
 37: [ RUN      ] SelectModuleTest.NormalizesSizes
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20832,7 +20867,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.WritesResidueNumbers (1 ms)
+37: [       OK ] SelectModuleTest.WritesResidueNumbers (5 ms)
 37: [ RUN      ] SelectModuleTest.WritesResidueIndices
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -20850,15 +20885,15 @@
 37:          files if necessary.
 37: 
 37: [       OK ] SelectModuleTest.WritesResidueIndices (2 ms)
-37: [----------] 8 tests from SelectModuleTest (17 ms total)
+37: [----------] 8 tests from SelectModuleTest (37 ms total)
 37: 
 37: [----------] 10 tests from SurfaceAreaTest
 37: [ RUN      ] SurfaceAreaTest.ComputesSinglePoint
 37: [       OK ] SurfaceAreaTest.ComputesSinglePoint (0 ms)
 37: [ RUN      ] SurfaceAreaTest.ComputesTwoPoints
-37: [       OK ] SurfaceAreaTest.ComputesTwoPoints (0 ms)
+37: [       OK ] SurfaceAreaTest.ComputesTwoPoints (1 ms)
 37: [ RUN      ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius
-37: [       OK ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius (1 ms)
+37: [       OK ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius (0 ms)
 37: [ RUN      ] SurfaceAreaTest.SurfacePoints12
 37: [       OK ] SurfaceAreaTest.SurfacePoints12 (0 ms)
 37: [ RUN      ] SurfaceAreaTest.SurfacePoints32
@@ -20868,12 +20903,12 @@
 37: [ RUN      ] SurfaceAreaTest.SurfacePoints122
 37: [       OK ] SurfaceAreaTest.SurfacePoints122 (1 ms)
 37: [ RUN      ] SurfaceAreaTest.Computes100Points
-37: [       OK ] SurfaceAreaTest.Computes100Points (0 ms)
+37: [       OK ] SurfaceAreaTest.Computes100Points (8 ms)
 37: [ RUN      ] SurfaceAreaTest.Computes100PointsWithRectangularPBC
 37: [       OK ] SurfaceAreaTest.Computes100PointsWithRectangularPBC (1 ms)
 37: [ RUN      ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC
-37: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (2 ms)
-37: [----------] 10 tests from SurfaceAreaTest (5 ms total)
+37: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (1 ms)
+37: [----------] 10 tests from SurfaceAreaTest (13 ms total)
 37: 
 37: [----------] 4 tests from TopologyInformation
 37: [ RUN      ] TopologyInformation.CantWorkWithoutReadingAFile
@@ -20887,7 +20922,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TopologyInformation.WorksWithGroFile (2 ms)
+37: [       OK ] TopologyInformation.WorksWithGroFile (6 ms)
 37: [ RUN      ] TopologyInformation.WorksWithPdbFile
 37: 
 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -20897,14 +20932,14 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TopologyInformation.WorksWithPdbFile (1 ms)
+37: [       OK ] TopologyInformation.WorksWithPdbFile (2 ms)
 37: [ RUN      ] TopologyInformation.WorksWithTprFromPdbFile
 37: 
 37: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.mdp]:
 37:   For a correct single-point energy evaluation with nsteps = 0, use
 37:   continuation = yes to avoid constraining the input coordinates.
 37: 
-37: Setting the LD random seed to -322115587
+37: Setting the LD random seed to -1879130253
 37: Generated 330891 of the 330891 non-bonded parameter combinations
 37: Generating 1-4 interactions: fudge = 0.5
 37: Generated 330891 of the 330891 1-4 parameter combinations
@@ -20938,8 +20973,8 @@
 37: There are:    10    Protein residues
 37: Analysing Protein...
 37: This run will generate roughly 0 Mb of data
-37: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (229 ms)
-37: [----------] 4 tests from TopologyInformation (232 ms total)
+37: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (523 ms)
+37: [----------] 4 tests from TopologyInformation (531 ms total)
 37: 
 37: [----------] 4 tests from TrajectoryModuleTest
 37: [ RUN      ] TrajectoryModuleTest.BasicTest
@@ -20960,7 +20995,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryModuleTest.BasicTest (2 ms)
+37: [       OK ] TrajectoryModuleTest.BasicTest (10 ms)
 37: [ RUN      ] TrajectoryModuleTest.PlotsXOnly
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -20979,7 +21014,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryModuleTest.PlotsXOnly (2 ms)
+37: [       OK ] TrajectoryModuleTest.PlotsXOnly (1 ms)
 37: [ RUN      ] TrajectoryModuleTest.HandlesNoVelocities
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -20998,7 +21033,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryModuleTest.HandlesNoVelocities (2 ms)
+37: [       OK ] TrajectoryModuleTest.HandlesNoVelocities (6 ms)
 37: [ RUN      ] TrajectoryModuleTest.HandlesNoForces
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -21017,8 +21052,8 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryModuleTest.HandlesNoForces (1 ms)
-37: [----------] 4 tests from TrajectoryModuleTest (7 ms total)
+37: [       OK ] TrajectoryModuleTest.HandlesNoForces (2 ms)
+37: [----------] 4 tests from TrajectoryModuleTest (20 ms total)
 37: 
 37: [----------] 5 tests from UnionFinderTest
 37: [ RUN      ] UnionFinderTest.WorksEmpty
@@ -21031,7 +21066,7 @@
 37: [       OK ] UnionFinderTest.LongRightMerge (0 ms)
 37: [ RUN      ] UnionFinderTest.LongLeftMerge
 37: [       OK ] UnionFinderTest.LongLeftMerge (0 ms)
-37: [----------] 5 tests from UnionFinderTest (1 ms total)
+37: [----------] 5 tests from UnionFinderTest (0 ms total)
 37: 
 37: [----------] 1 test from MappedUnionFinderTest
 37: [ RUN      ] MappedUnionFinderTest.BasicMerges
@@ -21039,9 +21074,9 @@
 37: [----------] 1 test from MappedUnionFinderTest (0 ms total)
 37: 
 37: [----------] Global test environment tear-down
-37: [==========] 82 tests from 16 test cases ran. (508 ms total)
+37: [==========] 82 tests from 16 test cases ran. (1176 ms total)
 37: [  PASSED  ] 82 tests.
-37/54 Test #37: TrajectoryAnalysisUnitTests .........   Passed    0.52 sec
+37/54 Test #37: TrajectoryAnalysisUnitTests .........   Passed    1.21 sec
 test 38
       Start 38: EnergyAnalysisUnitTests
 
@@ -21058,8 +21093,8 @@
 38: 
 38: 
 38: Wrote 8 lambda values with 101 samples as 808 dH data blocks to /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary/DhdlTest_ExtractDhdl_dhdl.xvg
-38: [       OK ] DhdlTest.ExtractDhdl (5 ms)
-38: [----------] 1 test from DhdlTest (5 ms total)
+38: [       OK ] DhdlTest.ExtractDhdl (8 ms)
+38: [----------] 1 test from DhdlTest (9 ms total)
 38: 
 38: [----------] 1 test from OriresTest
 38: [ RUN      ] OriresTest.ExtractOrires
@@ -21070,8 +21105,8 @@
 38: End your selection with 0
 38: Selecting all 7 orientation restraints
 38: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Reading energy frame      2 time    0.004         
Reading energy frame      3 time    0.006         
Reading energy frame      4 time    0.008         
Reading energy frame      5 time    0.010         
Reading energy frame      6 time    0.012         
Reading energy frame      7 time    0.014         
Reading energy frame      8 time    0.016         
Reading energy frame      9 time    0.018         
Reading energy frame     10 time    0.020         
Last energy frame read 10 time    0.020         
-38: [       OK ] OriresTest.ExtractOrires (6 ms)
-38: [----------] 1 test from OriresTest (6 ms total)
+38: [       OK ] OriresTest.ExtractOrires (13 ms)
+38: [----------] 1 test from OriresTest (13 ms total)
 38: 
 38: [----------] 3 tests from EnergyTest
 38: [ RUN      ] EnergyTest.ExtractEnergy
@@ -21161,7 +21196,7 @@
 38: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 38: Box-Z                       2.92457     0.0054  0.0151558  0.0234974  (nm)
 38: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
-38: [       OK ] EnergyTest.ExtractEnergyMixed (2 ms)
+38: [       OK ] EnergyTest.ExtractEnergyMixed (1 ms)
 38: [----------] 3 tests from EnergyTest (4 ms total)
 38: 
 38: [----------] 2 tests from ViscosityTest
@@ -21186,7 +21221,7 @@
 38: Temperature                 300.001       0.02     5.8425 -0.0130558  (K)
 38: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
 38: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
-38: [       OK ] ViscosityTest.EinsteinViscosity (18 ms)
+38: [       OK ] ViscosityTest.EinsteinViscosity (123 ms)
 38: [ RUN      ] ViscosityTest.EinsteinViscosityIntegral
 38: Opened /build/reproducible-path/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 38: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -21208,13 +21243,13 @@
 38: Temperature                 300.001       0.02     5.8425 -0.0130558  (K)
 38: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
 38: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
-38: [       OK ] ViscosityTest.EinsteinViscosityIntegral (19 ms)
-38: [----------] 2 tests from ViscosityTest (38 ms total)
+38: [       OK ] ViscosityTest.EinsteinViscosityIntegral (83 ms)
+38: [----------] 2 tests from ViscosityTest (206 ms total)
 38: 
 38: [----------] Global test environment tear-down
-38: [==========] 7 tests from 4 test cases ran. (53 ms total)
+38: [==========] 7 tests from 4 test cases ran. (232 ms total)
 38: [  PASSED  ] 7 tests.
-38/54 Test #38: EnergyAnalysisUnitTests .............   Passed    0.06 sec
+38/54 Test #38: EnergyAnalysisUnitTests .............   Passed    0.27 sec
 test 39
       Start 39: ToolUnitTests
 
@@ -21228,7 +21263,7 @@
 39:   For a correct single-point energy evaluation with nsteps = 0, use
 39:   continuation = yes to avoid constraining the input coordinates.
 39: 
-39: Setting the LD random seed to 2107636685
+39: Setting the LD random seed to 1943418751
 39: Generated 330891 of the 330891 non-bonded parameter combinations
 39: Generating 1-4 interactions: fudge = 0.5
 39: Generated 330891 of the 330891 1-4 parameter combinations
@@ -21274,7 +21309,7 @@
 39:    comm-mode                      = Linear
 39:    nstcomm                        = 100
 39:    bd-fric                        = 0
-39:    ld-seed                        = 2107636685
+39:    ld-seed                        = 1943418751
 39:    emtol                          = 10
 39:    emstep                         = 0.01
 39:    niter                          = 20
@@ -24191,12 +24226,12 @@
 39: Compressed X:     156  (total 156 atoms)
 39: Or. Res. Fit:     156  (total 156 atoms)
 39: QMMM        :     156  (total 156 atoms)
-39: [       OK ] DumpTest.WorksWithTpr (6 ms)
+39: [       OK ] DumpTest.WorksWithTpr (36 ms)
 39: [ RUN      ] DumpTest.WorksWithTprAndMdpWriting
 39: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 39: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 39: [       OK ] DumpTest.WorksWithTprAndMdpWriting (1 ms)
-39: [----------] 2 tests from DumpTest (7 ms total)
+39: [----------] 2 tests from DumpTest (37 ms total)
 39: 
 39: [----------] 4 tests from ReportMethodsTest
 39: 
@@ -24204,7 +24239,7 @@
 39:   For a correct single-point energy evaluation with nsteps = 0, use
 39:   continuation = yes to avoid constraining the input coordinates.
 39: 
-39: Setting the LD random seed to -34734851
+39: Setting the LD random seed to -293732929
 39: Generated 330891 of the 330891 non-bonded parameter combinations
 39: Generating 1-4 interactions: fudge = 0.5
 39: Generated 330891 of the 330891 1-4 parameter combinations
@@ -24270,7 +24305,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/0 (2 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/0 (10 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/1
 39: Will write tng: Trajectory file (tng format)
 39: Group     0 (         System) has     6 elements
@@ -24334,7 +24369,7 @@
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
 39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/5 (1 ms)
-39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset (7 ms total)
+39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset (15 ms total)
 39: 
 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0
@@ -24347,7 +24382,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 (1 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 (0 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1
 39: Will write trr: Trajectory in portable xdr format
 39: Group     0 (         System) has     6 elements
@@ -24360,7 +24395,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1 (0 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1 (1 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/2
 39: Will write trr: Trajectory in portable xdr format
 39: Group     0 (         System) has     6 elements
@@ -24399,7 +24434,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 (1 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 (0 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5
 39: Will write trr: Trajectory in portable xdr format
 39: Group     0 (         System) has     6 elements
@@ -24410,13 +24445,13 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5 (0 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5 (1 ms)
 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile (2 ms total)
 39: 
 39: [----------] Global test environment tear-down
-39: [==========] 18 tests from 4 test cases ran. (517 ms total)
+39: [==========] 18 tests from 4 test cases ran. (1127 ms total)
 39: [  PASSED  ] 18 tests.
-39/54 Test #39: ToolUnitTests .......................   Passed    0.53 sec
+39/54 Test #39: ToolUnitTests .......................   Passed    1.16 sec
 test 40
       Start 40: FileIOTests
 
@@ -24437,19 +24472,19 @@
 40: [ RUN      ] MrcSerializer.DefaultHeaderHasRightSerialSize
 40: [       OK ] MrcSerializer.DefaultHeaderHasRightSerialSize (0 ms)
 40: [ RUN      ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip
-40: [       OK ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip (1 ms)
-40: [----------] 3 tests from MrcSerializer (1 ms total)
+40: [       OK ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip (0 ms)
+40: [----------] 3 tests from MrcSerializer (0 ms total)
 40: 
 40: [----------] 4 tests from MrcDensityMap
 40: [ RUN      ] MrcDensityMap.RoundTripIsIdempotent
-40: [       OK ] MrcDensityMap.RoundTripIsIdempotent (2 ms)
+40: [       OK ] MrcDensityMap.RoundTripIsIdempotent (1 ms)
 40: [ RUN      ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent
 40: [       OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (0 ms)
 40: [ RUN      ] MrcDensityMap.ReadsCoordinateTransformationFromFile
 40: [       OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms)
 40: [ RUN      ] MrcDensityMap.ReadsDensityDataFromFile
-40: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (1 ms)
-40: [----------] 4 tests from MrcDensityMap (4 ms total)
+40: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (0 ms)
+40: [----------] 4 tests from MrcDensityMap (2 ms total)
 40: 
 40: [----------] 8 tests from MrcDensityMapHeaderTest
 40: [ RUN      ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader
@@ -24523,8 +24558,8 @@
 40: 
 40: [----------] 1 test from FileIOXdrSerializerTest
 40: [ RUN      ] FileIOXdrSerializerTest.SizeIsCorrect
-40: [       OK ] FileIOXdrSerializerTest.SizeIsCorrect (1 ms)
-40: [----------] 1 test from FileIOXdrSerializerTest (1 ms total)
+40: [       OK ] FileIOXdrSerializerTest.SizeIsCorrect (0 ms)
+40: [----------] 1 test from FileIOXdrSerializerTest (0 ms total)
 40: 
 40: [----------] 2 tests from TngTest
 40: [ RUN      ] TngTest.CanOpenTngFile
@@ -24537,19 +24572,19 @@
 40: 
 40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest
 40: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0
-40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (0 ms)
+40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (8 ms)
 40: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1
-40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (1 ms)
+40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (0 ms)
 40: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2
 40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (1 ms)
 40: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3
-40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (1 ms)
-40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (3 ms total)
+40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (0 ms)
+40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (9 ms total)
 40: 
 40: [----------] Global test environment tear-down
-40: [==========] 33 tests from 8 test cases ran. (11 ms total)
+40: [==========] 33 tests from 8 test cases ran. (12 ms total)
 40: [  PASSED  ] 33 tests.
-40/54 Test #40: FileIOTests .........................   Passed    0.03 sec
+40/54 Test #40: FileIOTests .........................   Passed    0.05 sec
 test 41
       Start 41: SelectionUnitTests
 
@@ -24574,7 +24609,7 @@
 41: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology
 41: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology (0 ms)
 41: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology
-41: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (1 ms)
+41: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (0 ms)
 41: [ RUN      ] IndexBlockTest.CreatesSingleBlock
 41: [       OK ] IndexBlockTest.CreatesSingleBlock (0 ms)
 41: [ RUN      ] IndexBlockTest.ChecksGroupForFullBlocksPositive
@@ -24593,7 +24628,7 @@
 41: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms)
 41: [ RUN      ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative
 41: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms)
-41: [----------] 15 tests from IndexBlockTest (2 ms total)
+41: [----------] 15 tests from IndexBlockTest (0 ms total)
 41: 
 41: [----------] 11 tests from IndexMapTest
 41: [ RUN      ] IndexMapTest.InitializesAtomBlock
@@ -24615,39 +24650,39 @@
 41: [ RUN      ] IndexMapTest.MapsResidueBlocks
 41: [       OK ] IndexMapTest.MapsResidueBlocks (0 ms)
 41: [ RUN      ] IndexMapTest.MapsResidueBlocksWithMask
-41: [       OK ] IndexMapTest.MapsResidueBlocksWithMask (1 ms)
+41: [       OK ] IndexMapTest.MapsResidueBlocksWithMask (0 ms)
 41: [ RUN      ] IndexMapTest.HandlesMultipleRequests
 41: [       OK ] IndexMapTest.HandlesMultipleRequests (0 ms)
-41: [----------] 11 tests from IndexMapTest (3 ms total)
+41: [----------] 11 tests from IndexMapTest (1 ms total)
 41: 
 41: [----------] 3 tests from IndexGroupsAndNamesTest
 41: [ RUN      ] IndexGroupsAndNamesTest.containsNames
 41: [       OK ] IndexGroupsAndNamesTest.containsNames (0 ms)
 41: [ RUN      ] IndexGroupsAndNamesTest.throwsWhenNameMissing
-41: [       OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (0 ms)
+41: [       OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (1 ms)
 41: [ RUN      ] IndexGroupsAndNamesTest.groupIndicesCorrect
 41: [       OK ] IndexGroupsAndNamesTest.groupIndicesCorrect (0 ms)
 41: [----------] 3 tests from IndexGroupsAndNamesTest (1 ms total)
 41: 
 41: [----------] 15 tests from NeighborhoodSearchTest
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSearch
-41: [       OK ] NeighborhoodSearchTest.SimpleSearch (22 ms)
+41: [       OK ] NeighborhoodSearchTest.SimpleSearch (20 ms)
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSearchXY
-41: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (17 ms)
+41: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (15 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchBox
-41: [       OK ] NeighborhoodSearchTest.GridSearchBox (2 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearchBox (10 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchTriclinic
-41: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (7 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (12 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearch2DPBC
-41: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (3 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (2 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchNoPBC
 41: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (1 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchXYBox
-41: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (2 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (1 ms)
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSelfPairsSearch
 41: [       OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSelfPairsSearch
-41: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (27 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (49 ms)
 41: [ RUN      ] NeighborhoodSearchTest.HandlesConcurrentSearches
 41: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms)
 41: [ RUN      ] NeighborhoodSearchTest.HandlesNoPBC
@@ -24659,12 +24694,12 @@
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSearchExclusions
 41: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (2 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchExclusions
-41: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (1 ms)
-41: [----------] 15 tests from NeighborhoodSearchTest (85 ms total)
+41: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (4 ms)
+41: [----------] 15 tests from NeighborhoodSearchTest (116 ms total)
 41: 
 41: [----------] 12 tests from PositionCalculationTest
 41: [ RUN      ] PositionCalculationTest.ComputesAtomPositions
-41: [       OK ] PositionCalculationTest.ComputesAtomPositions (0 ms)
+41: [       OK ] PositionCalculationTest.ComputesAtomPositions (1 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesResidueCOGPositions
 41: [       OK ] PositionCalculationTest.ComputesResidueCOGPositions (0 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesResidueCOMPositions
@@ -24674,7 +24709,7 @@
 41: [ RUN      ] PositionCalculationTest.ComputesGroupCOMPositions
 41: [       OK ] PositionCalculationTest.ComputesGroupCOMPositions (0 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesPositionsWithCompleteWhole
-41: [       OK ] PositionCalculationTest.ComputesPositionsWithCompleteWhole (1 ms)
+41: [       OK ] PositionCalculationTest.ComputesPositionsWithCompleteWhole (0 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesPositionsWithCompleteMax
 41: [       OK ] PositionCalculationTest.ComputesPositionsWithCompleteMax (0 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesPositionMask
@@ -24682,22 +24717,22 @@
 41: [ RUN      ] PositionCalculationTest.HandlesFramesWithLessAtoms
 41: [       OK ] PositionCalculationTest.HandlesFramesWithLessAtoms (0 ms)
 41: [ RUN      ] PositionCalculationTest.HandlesFramesWithLessAtoms2
-41: [       OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (0 ms)
+41: [       OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (1 ms)
 41: [ RUN      ] PositionCalculationTest.HandlesIdenticalStaticCalculations
 41: [       OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms)
 41: [ RUN      ] PositionCalculationTest.HandlesOverlappingStaticCalculations
 41: [       OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms)
-41: [----------] 12 tests from PositionCalculationTest (1 ms total)
+41: [----------] 12 tests from PositionCalculationTest (2 ms total)
 41: 
 41: [----------] 29 tests from SelectionCollectionTest
 41: [ RUN      ] SelectionCollectionTest.HandlesNoSelections
-41: [       OK ] SelectionCollectionTest.HandlesNoSelections (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesNoSelections (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType
 41: [       OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesVelocityAndForceRequests
-41: [       OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (1 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry
-41: [       OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (0 ms)
 41: [ RUN      ] SelectionCollectionTest.ParsesSelectionsFromFile
 41: [       OK ] SelectionCollectionTest.ParsesSelectionsFromFile (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesAtypicalWhitespace
@@ -24705,9 +24740,9 @@
 41: [ RUN      ] SelectionCollectionTest.HandlesInvalidRegularExpressions
 41: [       OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue
-41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue2
-41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (1 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue3
 41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1
@@ -24715,23 +24750,23 @@
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2
 41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1
-41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (8 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2
-41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 (1 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnsortedGroupReference
 41: [       OK ] SelectionCollectionTest.HandlesUnsortedGroupReference (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed
 41: [       OK ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup
-41: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed
 41: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2
 41: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo
-41: [       OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (0 ms)
+41: [       OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (1 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromMissingAtomTypes
-41: [       OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (1 ms)
+41: [       OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (0 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromMissingPDBInfo
 41: [       OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (0 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation
@@ -24748,7 +24783,7 @@
 41: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4
 41: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (0 ms)
-41: [----------] 29 tests from SelectionCollectionTest (7 ms total)
+41: [----------] 29 tests from SelectionCollectionTest (13 ms total)
 41: 
 41: [----------] 14 tests from SelectionCollectionInteractiveTest
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesBasicInput
@@ -24758,13 +24793,13 @@
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput (1 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (0 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (1 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (1 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus
@@ -24772,157 +24807,157 @@
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesEmptySelections
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (0 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (1 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (1 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (0 ms)
-41: [----------] 14 tests from SelectionCollectionInteractiveTest (4 ms total)
+41: [----------] 14 tests from SelectionCollectionInteractiveTest (3 ms total)
 41: 
 41: [----------] 66 tests from SelectionCollectionDataTest
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAllNone
 41: [       OK ] SelectionCollectionDataTest.HandlesAllNone (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAtomnr
-41: [       OK ] SelectionCollectionDataTest.HandlesAtomnr (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesAtomnr (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesResnr
-41: [       OK ] SelectionCollectionDataTest.HandlesResnr (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesResnr (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesResIndex
 41: [       OK ] SelectionCollectionDataTest.HandlesResIndex (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesMolIndex
 41: [       OK ] SelectionCollectionDataTest.HandlesMolIndex (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAtomname
-41: [       OK ] SelectionCollectionDataTest.HandlesAtomname (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesAtomname (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPdbAtomname
-41: [       OK ] SelectionCollectionDataTest.HandlesPdbAtomname (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPdbAtomname (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAtomtype
 41: [       OK ] SelectionCollectionDataTest.HandlesAtomtype (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesChain
-41: [       OK ] SelectionCollectionDataTest.HandlesChain (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesChain (8 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesMass
-41: [       OK ] SelectionCollectionDataTest.HandlesMass (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesMass (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesCharge
 41: [       OK ] SelectionCollectionDataTest.HandlesCharge (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAltLoc
 41: [       OK ] SelectionCollectionDataTest.HandlesAltLoc (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesInsertCode
-41: [       OK ] SelectionCollectionDataTest.HandlesInsertCode (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesInsertCode (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesOccupancy
-41: [       OK ] SelectionCollectionDataTest.HandlesOccupancy (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesOccupancy (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBeta
 41: [       OK ] SelectionCollectionDataTest.HandlesBeta (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesResname
-41: [       OK ] SelectionCollectionDataTest.HandlesResname (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesResname (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesCoordinateKeywords
-41: [       OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesSameResidue
 41: [       OK ] SelectionCollectionDataTest.HandlesSameResidue (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesSameResidueName
-41: [       OK ] SelectionCollectionDataTest.HandlesSameResidueName (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesSameResidueName (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionKeywords
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionKeywords (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionKeywords (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesDistanceKeyword
-41: [       OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (8 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesMinDistanceKeyword
-41: [       OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesWithinKeyword
-41: [       OK ] SelectionCollectionDataTest.HandlesWithinKeyword (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesWithinKeyword (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword
-41: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (2 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPermuteModifier
-41: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (2 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPlusModifier
 41: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesMergeModifier
 41: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndCharges
-41: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (0 ms)
+41: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology
-41: [       OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (0 ms)
+41: [       OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets
 41: [       OK ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesSelectionNames
-41: [       OK ] SelectionCollectionDataTest.HandlesSelectionNames (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesSelectionNames (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections
 41: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed
-41: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections
-41: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed
-41: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositions
 41: [       OK ] SelectionCollectionDataTest.HandlesConstantPositions (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers
-41: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesWithinConstantPositions
 41: [       OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges
 41: [       OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesOverlappingRealRanges
-41: [       OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode
-41: [       OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesWildcardMatching
-41: [       OK ] SelectionCollectionDataTest.HandlesWildcardMatching (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesWildcardMatching (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesRegexMatching
 41: [       OK ] SelectionCollectionDataTest.HandlesRegexMatching (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBasicBoolean
-41: [       OK ] SelectionCollectionDataTest.HandlesBasicBoolean (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesBasicBoolean (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters
-41: [       OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions
-41: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame
 41: [       OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesKeywordOfPositions
 41: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic
-41: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesNumericComparisons
-41: [       OK ] SelectionCollectionDataTest.HandlesNumericComparisons (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesNumericComparisons (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesArithmeticExpressions
 41: [       OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesNumericVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesNumericVariables (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesNumericVariables (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesComplexNumericVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariableInModifier
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionInVariable
 41: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables
 41: [       OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis
-41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables
 41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesUnusedVariables
 41: [       OK ] SelectionCollectionDataTest.HandlesUnusedVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups
-41: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups
 41: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2
-41: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (1 ms)
-41: [----------] 66 tests from SelectionCollectionDataTest (29 ms total)
+41: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (0 ms)
+41: [----------] 66 tests from SelectionCollectionDataTest (44 ms total)
 41: 
 41: [----------] 17 tests from SelectionOptionTest
 41: [ RUN      ] SelectionOptionTest.ParsesSimpleSelection
 41: [       OK ] SelectionOptionTest.ParsesSimpleSelection (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired
-41: [       OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (0 ms)
+41: [       OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (1 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired
-41: [       OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (1 ms)
+41: [       OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (0 ms)
 41: [ RUN      ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired
 41: [       OK ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired (0 ms)
 41: [ RUN      ] SelectionOptionTest.ChecksEmptySelections
@@ -24932,9 +24967,9 @@
 41: [ RUN      ] SelectionOptionTest.HandlesTooManySelections
 41: [       OK ] SelectionOptionTest.HandlesTooManySelections (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesTooFewSelections
-41: [       OK ] SelectionOptionTest.HandlesTooFewSelections (0 ms)
+41: [       OK ] SelectionOptionTest.HandlesTooFewSelections (1 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDefaultSelectionText
-41: [       OK ] SelectionOptionTest.HandlesDefaultSelectionText (1 ms)
+41: [       OK ] SelectionOptionTest.HandlesDefaultSelectionText (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesAdjuster
 41: [       OK ] SelectionOptionTest.HandlesAdjuster (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster
@@ -24944,13 +24979,13 @@
 41: [ RUN      ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster
 41: [       OK ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDelayedRequiredSelection
-41: [       OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (0 ms)
+41: [       OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (1 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections
 41: [       OK ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDelayedOptionalSelection
 41: [       OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster
-41: [       OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (1 ms)
+41: [       OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms)
 41: [----------] 17 tests from SelectionOptionTest (3 ms total)
 41: 
 41: [----------] 9 tests from SelectionFileOptionTest
@@ -24959,13 +24994,13 @@
 41: [ RUN      ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions
 41: [       OK ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile
-41: [       OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (0 ms)
+41: [       OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (1 ms)
 41: [ RUN      ] SelectionFileOptionTest.HandlesRequiredOptionFromFile
 41: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet
 41: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile
-41: [       OK ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile (1 ms)
+41: [       OK ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.GivesErrorWithNoFile
 41: [       OK ] SelectionFileOptionTest.GivesErrorWithNoFile (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.GivesErrorWithNonExistentFile
@@ -24975,9 +25010,9 @@
 41: [----------] 9 tests from SelectionFileOptionTest (1 ms total)
 41: 
 41: [----------] Global test environment tear-down
-41: [==========] 192 tests from 11 test cases ran. (136 ms total)
+41: [==========] 192 tests from 11 test cases ran. (185 ms total)
 41: [  PASSED  ] 192 tests.
-41/54 Test #41: SelectionUnitTests ..................   Passed    0.16 sec
+41/54 Test #41: SelectionUnitTests ..................   Passed    0.22 sec
 test 42
       Start 42: MdrunOutputTests
 
@@ -24992,7 +25027,7 @@
 42: 
 42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput
 42: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0
-42: Setting the LD random seed to -304088121
+42: Setting the LD random seed to 1991503837
 42: Generated 3 of the 3 non-bonded parameter combinations
 42: Generating 1-4 interactions: fudge = 0.5
 42: Generated 3 of the 3 1-4 parameter combinations
@@ -25030,9 +25065,9 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.003        0.002      194.0
+42:        Time:        0.064        0.032      199.6
 42:                  (ns/day)    (hour/ns)
-42: Performance:      112.456        0.213
+42: Performance:        5.407        4.439
 42: 
Reading frame       0 time    0.000   
 42: # Atoms  6
 42: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -25047,9 +25082,9 @@
 42: Forces           0
 42: Box              2    0.001
 42: Checking file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.xtc
-42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (14 ms)
+42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (104 ms)
 42: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1
-42: Setting the LD random seed to -290456681
+42: Setting the LD random seed to -1213494145
 42: Generated 3 of the 3 non-bonded parameter combinations
 42: Generating 1-4 interactions: fudge = 0.5
 42: Generated 3 of the 3 1-4 parameter combinations
@@ -25086,10 +25121,13 @@
 42: 
 42: Writing final coordinates.
 42: 
+42: NOTE: 17 % of the run time was spent in pair search,
+42:       you might want to increase nstlist (this has no effect on accuracy)
+42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.001      186.2
+42:        Time:        0.368        0.184      199.9
 42:                  (ns/day)    (hour/ns)
-42: Performance:      331.553        0.072
+42: Performance:        0.939       25.562
 42: 
Reading frame       0 time    0.000   
 42: # Atoms  6
 42: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -25104,9 +25142,9 @@
 42: Forces           0
 42: Box              2    0.001
 42: Checking file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.xtc
-42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (4 ms)
+42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (244 ms)
 42: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2
-42: Setting the LD random seed to -118759841
+42: Setting the LD random seed to -1094980300
 42: Generated 3 of the 3 non-bonded parameter combinations
 42: Generating 1-4 interactions: fudge = 0.5
 42: Generated 3 of the 3 1-4 parameter combinations
@@ -25144,9 +25182,9 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.000      183.2
+42:        Time:        0.063        0.032      199.6
 42:                  (ns/day)    (hour/ns)
-42: Performance:      404.225        0.059
+42: Performance:        5.441        4.411
 42: 
Reading frame       0 time    0.000   
 42: # Atoms  3
 42: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -25161,8 +25199,8 @@
 42: Forces           0
 42: Box              2    0.001
 42: Checking file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.xtc
-42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (4 ms)
-42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (22 ms total)
+42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (36 ms)
+42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (384 ms total)
 42: 
 42: [----------] 2 tests from Argon12/OutputFiles
 42: [ RUN      ] Argon12/OutputFiles.FilesArePresent/0
@@ -25205,10 +25243,10 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.001      193.4
+42:        Time:        2.176        1.088      200.0
 42:                  (ns/day)    (hour/ns)
-42: Performance:     1939.123        0.012
-42: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (4 ms)
+42: Performance:        1.350       17.777
+42: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (1135 ms)
 42: [ RUN      ] Argon12/OutputFiles.FilesArePresent/1
 42: 
 42: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]:
@@ -25248,16 +25286,19 @@
 42: 
 42: Writing final coordinates.
 42: 
+42: NOTE: 23 % of the run time was spent in pair search,
+42:       you might want to increase nstlist (this has no effect on accuracy)
+42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.001      173.6
+42:        Time:        0.280        0.140      199.8
 42:                  (ns/day)    (hour/ns)
-42: Performance:     1728.077        0.014
-42: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (4 ms)
-42: [----------] 2 tests from Argon12/OutputFiles (8 ms total)
+42: Performance:       10.486        2.289
+42: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (173 ms)
+42: [----------] 2 tests from Argon12/OutputFiles (1308 ms total)
 42: 
 42: [----------] 3 tests from MdrunCanWrite/Trajectories
 42: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0
-42: Setting the LD random seed to 2121203690
+42: Setting the LD random seed to -209851555
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -25289,13 +25330,16 @@
 42: 
 42: Writing final coordinates.
 42: 
+42: NOTE: 42 % of the run time was spent in pair search,
+42:       you might want to increase nstlist (this has no effect on accuracy)
+42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.005        0.003      197.1
+42:        Time:        0.152        0.076      199.9
 42:                  (ns/day)    (hour/ns)
-42: Performance:      223.322        0.107
-42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (7 ms)
+42: Performance:        7.939        3.023
+42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (136 ms)
 42: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1
-42: Setting the LD random seed to 1040183159
+42: Setting the LD random seed to -875094211
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -25327,13 +25371,16 @@
 42: 
 42: Writing final coordinates.
 42: 
+42: NOTE: 12 % of the run time was spent in pair search,
+42:       you might want to increase nstlist (this has no effect on accuracy)
+42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.004        0.002      196.0
+42:        Time:        0.544        0.272      200.0
 42:                  (ns/day)    (hour/ns)
-42: Performance:      326.224        0.074
-42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (7 ms)
+42: Performance:        2.222       10.801
+42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (344 ms)
 42: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2
-42: Setting the LD random seed to -18055970
+42: Setting the LD random seed to -478543937
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -25366,15 +25413,15 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.003        0.001      194.7
+42:        Time:        1.200        0.600      200.0
 42:                  (ns/day)    (hour/ns)
-42: Performance:      459.383        0.052
-42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (5 ms)
-42: [----------] 3 tests from MdrunCanWrite/Trajectories (19 ms total)
+42: Performance:        1.008       23.817
+42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (668 ms)
+42: [----------] 3 tests from MdrunCanWrite/Trajectories (1148 ms total)
 42: 
 42: [----------] 3 tests from MdrunCanWrite/NptTrajectories
 42: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0
-42: Setting the LD random seed to -1208354865
+42: Setting the LD random seed to -676516121
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -25406,13 +25453,16 @@
 42: 
 42: Writing final coordinates.
 42: 
+42: NOTE: 11 % of the run time was spent in pair search,
+42:       you might want to increase nstlist (this has no effect on accuracy)
+42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.001      190.1
+42:        Time:        0.608        0.304      200.0
 42:                  (ns/day)    (hour/ns)
-42: Performance:      384.700        0.062
-42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (5 ms)
+42: Performance:        0.852       28.159
+42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (372 ms)
 42: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1
-42: Setting the LD random seed to 2146430943
+42: Setting the LD random seed to 769498543
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -25444,13 +25494,16 @@
 42: 
 42: Writing final coordinates.
 42: 
+42: NOTE: 25 % of the run time was spent in pair search,
+42:       you might want to increase nstlist (this has no effect on accuracy)
+42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.001      189.6
+42:        Time:        0.096        0.048      199.8
 42:                  (ns/day)    (hour/ns)
-42: Performance:      411.026        0.058
-42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (4 ms)
+42: Performance:        5.381        4.460
+42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (116 ms)
 42: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2
-42: Setting the LD random seed to -4456454
+42: Setting the LD random seed to 1509814246
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -25483,16 +25536,16 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.001      189.3
+42:        Time:        0.064        0.032      199.7
 42:                  (ns/day)    (hour/ns)
-42: Performance:      396.775        0.060
-42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (5 ms)
-42: [----------] 3 tests from MdrunCanWrite/NptTrajectories (14 ms total)
+42: Performance:        8.065        2.976
+42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (88 ms)
+42: [----------] 3 tests from MdrunCanWrite/NptTrajectories (576 ms total)
 42: 
 42: [----------] Global test environment tear-down
-42: [==========] 12 tests from 5 test cases ran. (65 ms total)
+42: [==========] 12 tests from 5 test cases ran. (3418 ms total)
 42: [  PASSED  ] 12 tests.
-42/54 Test #42: MdrunOutputTests ....................   Passed    0.08 sec
+42/54 Test #42: MdrunOutputTests ....................   Passed    3.43 sec
 test 43
       Start 43: MdrunModulesTests
 
@@ -25502,7 +25555,7 @@
 43: [----------] Global test environment set-up.
 43: [----------] 4 tests from DensityFittingTest
 43: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct
-43: Setting the LD random seed to 1794719743
+43: Setting the LD random seed to -335626348
 43: Generated 1 of the 1 non-bonded parameter combinations
 43: Excluding 1 bonded neighbours molecule type 'Argon'
 43: Number of degrees of freedom in T-Coupling group rest is 33.00
@@ -25529,9 +25582,9 @@
 43: Norm of force     =  1.0754448e+03
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.edr as single precision energy file
 43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         This run will generate roughly 0 Mb of data
-43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (25 ms)
+43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (108 ms)
 43: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy
-43: Setting the LD random seed to -8456259
+43: Setting the LD random seed to -838531
 43: Generated 1 of the 1 non-bonded parameter combinations
 43: Excluding 1 bonded neighbours molecule type 'Argon'
 43: Number of degrees of freedom in T-Coupling group rest is 33.00
@@ -25558,17 +25611,17 @@
 43: Norm of force     =  1.2549793e+03
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.edr as single precision energy file
 43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         This run will generate roughly 0 Mb of data
-43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (8 ms)
+43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (32 ms)
 43: [ RUN      ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch
 43: 
 43: [WARNING] /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/src/gtest-death-test.cc:836:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads.
-43: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (9 ms)
+43: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (8 ms)
 43: [ RUN      ] DensityFittingTest.CheckpointWorks
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]:
 43:   Setting nstcalcenergy (100) equal to nstenergy (2)
 43: 
-43: Setting the LD random seed to -819988561
+43: Setting the LD random seed to 1987039229
 43: Generated 1 of the 1 non-bonded parameter combinations
 43: Excluding 1 bonded neighbours molecule type 'Argon'
 43: Number of degrees of freedom in T-Coupling group rest is 33.00
@@ -25597,10 +25650,13 @@
 43: 
 43: Writing final coordinates.
 43: 
+43: NOTE: 22 % of the run time was spent in pair search,
+43:       you might want to increase nstlist (this has no effect on accuracy)
+43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.005        0.002      193.1
+43:        Time:        0.048        0.024      199.7
 43:                  (ns/day)    (hour/ns)
-43: Performance:      108.025        0.222
+43: Performance:       10.733        2.236
 43: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 43: Overriding nsteps with value passed on the command line: 4 steps, 0.004 ps
 43: Can not increase nstlist because an NVE ensemble is used
@@ -25617,12 +25673,12 @@
 43: Writing final coordinates.
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.002        0.001      186.7
+43:        Time:        0.061        0.030      199.8
 43:                  (ns/day)    (hour/ns)
-43: Performance:      514.755        0.047
+43: Performance:       14.222        1.687
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.edr as single precision energy file
-43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (13 ms)
-43: [----------] 4 tests from DensityFittingTest (55 ms total)
+43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (71 ms)
+43: [----------] 4 tests from DensityFittingTest (219 ms total)
 43: 
 43: [----------] 4 tests from MimicTest
 43: [ RUN      ] MimicTest.OneQuantumMol
@@ -25631,7 +25687,7 @@
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to -1222922386
+43: Setting the LD random seed to 1073733119
 43: Generated 10 of the 10 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 10 of the 10 1-4 parameter combinations
@@ -25663,23 +25719,23 @@
 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 15 % of the run time was spent in pair search,
+43: NOTE: 21 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.000      185.8
+43:        Time:        0.016        0.008      199.2
 43:                  (ns/day)    (hour/ns)
-43: Performance:      268.038        0.090
+43: Performance:       10.993        2.183
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.OneQuantumMol (8 ms)
+43: [       OK ] MimicTest.OneQuantumMol (17 ms)
 43: [ RUN      ] MimicTest.AllQuantumMol
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to -151126097
+43: Setting the LD random seed to -1210073881
 43: Generated 10 of the 10 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 10 of the 10 1-4 parameter combinations
@@ -25711,23 +25767,23 @@
 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 15 % of the run time was spent in pair search,
+43: NOTE: 74 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.000      186.3
+43:        Time:        0.015        0.008      199.2
 43:                  (ns/day)    (hour/ns)
-43: Performance:      279.405        0.086
+43: Performance:       11.118        2.159
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.AllQuantumMol (7 ms)
+43: [       OK ] MimicTest.AllQuantumMol (17 ms)
 43: [ RUN      ] MimicTest.TwoQuantumMol
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to 200802134
+43: Setting the LD random seed to 1839067135
 43: Generated 10 of the 10 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 10 of the 10 1-4 parameter combinations
@@ -25759,23 +25815,23 @@
 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 15 % of the run time was spent in pair search,
+43: NOTE: 46 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.000      185.9
+43:        Time:        0.007        0.004      198.7
 43:                  (ns/day)    (hour/ns)
-43: Performance:      308.678        0.078
+43: Performance:       23.312        1.030
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.TwoQuantumMol (7 ms)
+43: [       OK ] MimicTest.TwoQuantumMol (15 ms)
 43: [ RUN      ] MimicTest.BondCuts
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to -117969433
+43: Setting the LD random seed to 1371535287
 43: Generated 2211 of the 2211 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 2211 of the 2211 1-4 parameter combinations
@@ -25807,25 +25863,25 @@
 43: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 17 % of the run time was spent in pair search,
+43: NOTE: 38 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.000      190.6
+43:        Time:        0.009        0.005      198.7
 43:                  (ns/day)    (hour/ns)
-43: Performance:      183.395        0.131
+43: Performance:       18.883        1.271
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K
 43: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm
 43: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm
 43: Note that mdrun will redetermine rlist based on the actual pair-list setup
 43: This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.BondCuts (19 ms)
-43: [----------] 4 tests from MimicTest (41 ms total)
+43: [       OK ] MimicTest.BondCuts (33 ms)
+43: [----------] 4 tests from MimicTest (82 ms total)
 43: 
 43: [----------] 2 tests from WithIntegrator/ImdTest
 43: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/0
-43: Setting the LD random seed to -654320289
+43: Setting the LD random seed to -1412333825
 43: Generated 20503 of the 20503 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 1
 43: Generated 17396 of the 20503 1-4 parameter combinations
@@ -25860,7 +25916,7 @@
 43: IMD: Pulling from IMD remote is enabled (-imdpull).
 43: IMD: Setting port for connection requests to 0.
 43: IMD: Setting up incoming socket.
-43: IMD: Listening for IMD connection on port 48543.
+43: IMD: Listening for IMD connection on port 50427.
 43: IMD: -imdwait not set, starting simulation.
 43: starting mdrun 'Glycine'
 43: 2 steps,      0.0 ps.
@@ -25873,17 +25929,17 @@
 43: Writing final coordinates.
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.001      189.6
+43:        Time:        0.052        0.026      199.6
 43:                  (ns/day)    (hour/ns)
-43: Performance:      728.662        0.033
-43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (80 ms)
+43: Performance:       20.029        1.198
+43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (188 ms)
 43: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/1
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]:
 43:   Setting tcoupl from 'V-rescale' to 'no'. Temperature coupling does not
 43:   apply to steep.
 43: 
-43: Setting the LD random seed to 2008022015
+43: Setting the LD random seed to -87182497
 43: Generated 20503 of the 20503 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 1
 43: Generated 17396 of the 20503 1-4 parameter combinations
@@ -25909,7 +25965,7 @@
 43: IMD: Pulling from IMD remote is enabled (-imdpull).
 43: IMD: Setting port for connection requests to 0.
 43: IMD: Setting up incoming socket.
-43: IMD: Listening for IMD connection on port 57749.
+43: IMD: Listening for IMD connection on port 43323.
 43: IMD: -imdwait not set, starting simulation.
 43: 
 43: Steepest Descents:
@@ -25926,13 +25982,13 @@
 43: Maximum force     =  1.7794875e+04 on atom 9
 43: Norm of force     =  7.8732895e+03
 43: This run will generate roughly 0 Mb of data
-43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (62 ms)
-43: [----------] 2 tests from WithIntegrator/ImdTest (142 ms total)
+43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (175 ms)
+43: [----------] 2 tests from WithIntegrator/ImdTest (363 ms total)
 43: 
 43: [----------] Global test environment tear-down
-43: [==========] 10 tests from 3 test cases ran. (239 ms total)
+43: [==========] 10 tests from 3 test cases ran. (664 ms total)
 43: [  PASSED  ] 10 tests.
-43/54 Test #43: MdrunModulesTests ...................   Passed    0.26 sec
+43/54 Test #43: MdrunModulesTests ...................   Passed    0.70 sec
 test 44
       Start 44: MdrunIOTests
 
@@ -25947,7 +26003,7 @@
 44:   For a correct single-point energy evaluation with nsteps = 0, use
 44:   continuation = yes to avoid constraining the input coordinates.
 44: 
-44: Setting the LD random seed to 2140732263
+44: Setting the LD random seed to -10851716
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -25970,14 +26026,14 @@
 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm
 44: Note that mdrun will redetermine rlist based on the actual pair-list setup
 44: This run will generate roughly 0 Mb of data
-44: [       OK ] GromppTest.EmptyMdpFileWorks (3 ms)
+44: [       OK ] GromppTest.EmptyMdpFileWorks (11 ms)
 44: [ RUN      ] GromppTest.SimulatedAnnealingWorks
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]:
 44:   For a correct single-point energy evaluation with nsteps = 0, use
 44:   continuation = yes to avoid constraining the input coordinates.
 44: 
-44: Setting the LD random seed to -1095625346
+44: Setting the LD random seed to -1480790535
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -26013,7 +26069,7 @@
 44:   For a correct single-point energy evaluation with nsteps = 0, use
 44:   continuation = yes to avoid constraining the input coordinates.
 44: 
-44: Setting the LD random seed to -1443905571
+44: Setting the LD random seed to -546361361
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -26048,12 +26104,12 @@
 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm
 44: Note that mdrun will redetermine rlist based on the actual pair-list setup
 44: This run will generate roughly 0 Mb of data
-44: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (3 ms)
-44: [----------] 3 tests from GromppTest (8 ms total)
+44: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (11 ms)
+44: [----------] 3 tests from GromppTest (24 ms total)
 44: 
 44: [----------] 6 tests from MdrunTerminationTest
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartAppendsByDefault
-44: Setting the LD random seed to -671121411
+44: Setting the LD random seed to -109585457
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -26087,9 +26143,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      195.1
+44:        Time:        0.063        0.032      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      178.165        0.135
+44: Performance:        8.175        2.936
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 4
@@ -26109,13 +26165,16 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 27 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      186.7
+44:        Time:        0.236        0.118      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      592.460        0.041
-44: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (16 ms)
+44: Performance:        2.194       10.940
+44: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (246 ms)
 44: [ RUN      ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
-44: Setting the LD random seed to 1004404671
+44: Setting the LD random seed to -16924717
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -26141,20 +26200,20 @@
 44: starting mdrun 'spc2'
 44: 100 steps,      0.1 ps.
 44: 
-44: Step 13: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+44: Step 0: Run time exceeded 0.000 hours, will terminate the run within 2 steps
 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm
 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm
 44: Note that mdrun will redetermine rlist based on the actual pair-list setup
 44: This run will generate roughly 0 Mb of data
 44: 
-44: NOTE: 17 % of the run time was spent in pair search,
+44: NOTE: 29 % of the run time was spent in pair search,
 44:       you might want to increase nstlist (this has no effect on accuracy)
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.1
+44:        Time:        0.048        0.024      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1630.419        0.015
+44: Performance:        7.262        3.305
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 102
@@ -26170,17 +26229,17 @@
 44: Using 2 OpenMP threads 
 44: 
 44: starting mdrun 'spc2'
-44: 102 steps,      0.1 ps (continuing from step 14,      0.0 ps).
+44: 102 steps,      0.1 ps (continuing from step 1,      0.0 ps).
 44: 
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      196.0
+44:        Time:        0.261        0.130      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     4560.594        0.005
-44: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (8 ms)
+44: Performance:       67.558        0.355
+44: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (170 ms)
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend
-44: Setting the LD random seed to -118490305
+44: Setting the LD random seed to -313527349
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -26214,9 +26273,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      186.4
+44:        Time:        0.009        0.005      198.4
 44:                  (ns/day)    (hour/ns)
-44: Performance:      610.423        0.039
+44: Performance:       57.385        0.418
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 4
@@ -26236,10 +26295,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 15 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      191.6
+44:        Time:        0.416        0.208      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      641.394        0.037
+44: Performance:        1.246       19.266
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 6
@@ -26259,10 +26321,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 14 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      192.0
+44:        Time:        0.448        0.224      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      592.460        0.041
+44: Performance:        1.157       20.746
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 8
@@ -26282,10 +26347,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 23 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      191.7
+44:        Time:        0.280        0.140      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      626.607        0.038
+44: Performance:        1.848       12.989
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244
 44: 
@@ -26298,16 +26366,16 @@
 44: starting mdrun 'spc2'
 44: 8 steps,      0.0 ps (continuing from step 8,      0.0 ps).
 44: 
-44: NOTE: 24 % of the run time was spent in pair search,
+44: NOTE: 31 % of the run time was spent in pair search,
 44:       you might want to increase nstlist (this has no effect on accuracy)
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.000        0.000      172.7
+44:        Time:        0.011        0.005      198.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      784.389        0.031
-44: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (12 ms)
+44: Performance:       15.819        1.517
+44: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (749 ms)
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile
-44: Setting the LD random seed to -143368337
+44: Setting the LD random seed to -216065
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -26341,9 +26409,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      186.7
+44:        Time:        0.053        0.027      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      652.559        0.037
+44: Performance:        9.692        2.476
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 4
@@ -26364,12 +26432,12 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      186.8
+44:        Time:        0.515        0.257      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      998.314        0.024
-44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (6 ms)
+44: Performance:        1.678       14.301
+44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (303 ms)
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile
-44: Setting the LD random seed to -289591297
+44: Setting the LD random seed to -22811673
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -26403,17 +26471,17 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      186.7
+44:        Time:        0.064        0.032      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      643.673        0.037
+44: Performance:        8.144        2.947
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 4
 44: Writing statusfile with starting step          0 and length          4 steps...
 44:                                  time      0.000 and length      0.004 ps
-44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (4 ms)
+44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (36 ms)
 44: [ RUN      ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles
-44: Setting the LD random seed to -1108871252
+44: Setting the LD random seed to 2096539098
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -26447,9 +26515,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      186.9
+44:        Time:        0.040        0.020      199.4
 44:                  (ns/day)    (hour/ns)
-44: Performance:      672.750        0.036
+44: Performance:       12.832        1.870
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Setting nsteps to 4
@@ -26470,11 +26538,11 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      191.2
+44:        Time:        0.040        0.020      199.5
 44:                  (ns/day)    (hour/ns)
-44: Performance:      692.461        0.035
-44: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (6 ms)
-44: [----------] 6 tests from MdrunTerminationTest (53 ms total)
+44: Performance:       13.056        1.838
+44: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (107 ms)
+44: [----------] 6 tests from MdrunTerminationTest (1611 ms total)
 44: 
 44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -26542,9 +26610,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.4
+44:        Time:        0.079        0.040      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2178.428        0.011
+44: Performance:       36.982        0.649
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -26558,10 +26626,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 14 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.0
+44:        Time:        0.448        0.224      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1452.133        0.017
+44: Performance:        3.471        6.914
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -26575,14 +26646,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 11 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.3
+44:        Time:        1.200        0.600      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1413.124        0.017
+44: Performance:        1.296       18.520
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (968 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -26647,10 +26721,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 63 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      189.0
+44:        Time:        0.064        0.032      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1798.188        0.013
+44: Performance:       45.620        0.526
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -26664,10 +26741,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 10 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      194.5
+44:        Time:        1.256        0.628      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1289.637        0.019
+44: Performance:        1.238       19.385
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -26682,13 +26762,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      194.2
+44:        Time:        1.360        0.680      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1284.557        0.019
+44: Performance:        1.143       20.990
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (1440 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -26745,9 +26825,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.5
+44:        Time:        0.080        0.040      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2152.548        0.011
+44: Performance:       36.716        0.654
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73
 44: 
@@ -26763,9 +26843,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.4
+44:        Time:        0.712        0.356      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1516.972        0.016
+44: Performance:        2.183       10.993
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73
 44: 
@@ -26781,13 +26861,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.0
+44:        Time:        0.051        0.026      199.6
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1443.776        0.017
+44: Performance:       30.341        0.791
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (508 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -26844,9 +26924,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.9
+44:        Time:        0.080        0.040      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2215.244        0.011
+44: Performance:       36.729        0.653
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -26862,9 +26942,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        1.120        0.560      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1449.551        0.017
+44: Performance:        1.388       17.286
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -26880,13 +26960,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.0
+44:        Time:        1.128        0.564      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1392.609        0.017
+44: Performance:        1.379       17.410
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (1292 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -26968,9 +27048,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.3
+44:        Time:        0.737        0.368      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2123.610        0.011
+44: Performance:        3.987        6.020
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -26985,9 +27065,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.3
+44:        Time:        0.064        0.032      199.6
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1387.868        0.017
+44: Performance:       24.319        0.987
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -27001,14 +27081,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 38 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.4
+44:        Time:        0.168        0.084      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1403.999        0.017
+44: Performance:        9.229        2.600
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (616 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -27089,10 +27172,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 33 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      195.1
+44:        Time:        0.120        0.060      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1704.175        0.014
+44: Performance:       24.391        0.984
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -27107,9 +27193,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.3
+44:        Time:        0.108        0.054      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1221.532        0.020
+44: Performance:       14.328        1.675
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -27124,13 +27210,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.5
+44:        Time:        0.086        0.043      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1192.065        0.020
+44: Performance:       18.170        1.321
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (208 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -27203,9 +27289,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.2
+44:        Time:        0.125        0.062      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2196.290        0.011
+44: Performance:       23.547        1.019
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816
 44: 
@@ -27221,9 +27307,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.3
+44:        Time:        0.069        0.035      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1461.241        0.016
+44: Performance:       22.369        1.073
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816
 44: 
@@ -27239,13 +27325,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.9
+44:        Time:        0.069        0.034      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1402.189        0.017
+44: Performance:       22.564        1.064
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (153 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -27318,9 +27404,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.9
+44:        Time:        0.152        0.076      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2018.543        0.012
+44: Performance:       19.335        1.241
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 40, rlist from 0.754 to 1.017
 44: 
@@ -27336,9 +27422,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        0.083        0.042      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1386.688        0.017
+44: Performance:       18.702        1.283
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 40, rlist from 0.754 to 1.017
 44: 
@@ -27354,13 +27440,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        0.084        0.042      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1286.077        0.019
+44: Performance:       18.459        1.300
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (182 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]:
@@ -27476,9 +27562,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      195.9
+44:        Time:        0.404        0.202      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      655.452        0.037
+44: Performance:        7.266        3.303
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -27493,9 +27579,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      193.4
+44:        Time:        0.217        0.109      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      572.091        0.042
+44: Performance:        7.164        3.350
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -27510,13 +27596,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.5
+44:        Time:        0.216        0.108      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      661.426        0.036
+44: Performance:        7.184        3.341
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (27 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (484 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]:
@@ -27632,9 +27718,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      196.0
+44:        Time:        0.477        0.238      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      655.801        0.037
+44: Performance:        6.162        3.895
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -27649,9 +27735,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      193.4
+44:        Time:        0.255        0.128      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      589.995        0.041
+44: Performance:        6.099        3.935
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -27666,13 +27752,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      193.4
+44:        Time:        0.250        0.125      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      572.191        0.042
+44: Performance:        6.217        3.860
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (27 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (547 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]:
@@ -27779,9 +27865,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      195.5
+44:        Time:        0.401        0.201      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      676.542        0.035
+44: Performance:        7.325        3.277
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868
 44: 
@@ -27797,9 +27883,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      193.2
+44:        Time:        0.216        0.108      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      608.714        0.039
+44: Performance:        7.200        3.334
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868
 44: 
@@ -27815,13 +27901,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      191.7
+44:        Time:        0.215        0.108      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      540.519        0.044
+44: Performance:        7.223        3.323
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (39 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (486 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]:
@@ -27928,9 +28014,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.003      196.6
+44:        Time:        0.642        0.321      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      547.122        0.044
+44: Performance:        4.577        5.244
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869
 44: 
@@ -27946,9 +28032,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      194.3
+44:        Time:        0.343        0.171      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      478.575        0.050
+44: Performance:        4.536        5.290
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869
 44: 
@@ -27964,14 +28050,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      194.2
+44:        Time:        0.343        0.171      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      526.812        0.046
+44: Performance:        4.535        5.293
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (36 ms)
-44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (204 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (742 ms)
+44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (7626 ms total)
 44: 
 44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -28061,9 +28147,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      194.8
+44:        Time:        0.170        0.085      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      730.274        0.033
+44: Performance:       17.221        1.394
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -28078,9 +28164,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.3
+44:        Time:        0.093        0.046      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      645.329        0.037
+44: Performance:       16.778        1.430
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -28095,13 +28181,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.5
+44:        Time:        0.093        0.047      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      620.173        0.039
+44: Performance:       16.623        1.444
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (25 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (219 ms)
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -28189,9 +28275,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      196.9
+44:        Time:        0.218        0.109      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      649.920        0.037
+44: Performance:       13.464        1.783
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -28206,9 +28292,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      195.6
+44:        Time:        0.120        0.060      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      567.117        0.042
+44: Performance:       12.942        1.854
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -28223,13 +28309,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      195.3
+44:        Time:        0.115        0.058      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      577.766        0.042
+44: Performance:       13.458        1.783
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (25 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (263 ms)
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -28308,9 +28394,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      194.8
+44:        Time:        0.169        0.085      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      731.923        0.033
+44: Performance:       17.381        1.381
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.805
 44: 
@@ -28326,9 +28412,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.4
+44:        Time:        0.093        0.047      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      635.025        0.038
+44: Performance:       16.704        1.437
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.805
 44: 
@@ -28344,13 +28430,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.0
+44:        Time:        0.093        0.046      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      623.016        0.039
+44: Performance:       16.784        1.430
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (38 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (230 ms)
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -28429,9 +28515,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.002      195.5
+44:        Time:        0.218        0.109      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      637.941        0.038
+44: Performance:       13.450        1.784
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 44: 
@@ -28447,9 +28533,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      192.4
+44:        Time:        0.117        0.058      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      581.475        0.041
+44: Performance:       13.300        1.805
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 44: 
@@ -28465,14 +28551,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      192.3
+44:        Time:        0.116        0.058      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      579.203        0.041
+44: Performance:       13.408        1.790
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (34 ms)
-44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (122 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (271 ms)
+44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (983 ms total)
 44: 
 44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -28541,9 +28627,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.5
+44:        Time:        0.105        0.053      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2305.611        0.010
+44: Performance:       27.872        0.861
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28559,9 +28645,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.9
+44:        Time:        0.058        0.029      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1524.774        0.016
+44: Performance:       26.634        0.901
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28577,13 +28663,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.4
+44:        Time:        0.059        0.029      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1437.413        0.017
+44: Performance:       26.360        0.910
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (127 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -28640,9 +28726,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.7
+44:        Time:        0.106        0.053      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2261.598        0.011
+44: Performance:       27.790        0.864
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28658,9 +28744,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.6
+44:        Time:        0.059        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1502.991        0.016
+44: Performance:       26.333        0.911
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28676,13 +28762,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.7
+44:        Time:        0.058        0.029      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1384.922        0.017
+44: Performance:       26.598        0.902
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (127 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -28747,9 +28833,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.7
+44:        Time:        0.106        0.053      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2233.718        0.011
+44: Performance:       27.742        0.865
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28765,9 +28851,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.3
+44:        Time:        0.060        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1468.479        0.016
+44: Performance:       26.010        0.923
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28783,13 +28869,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.6
+44:        Time:        0.059        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1442.499        0.017
+44: Performance:       26.278        0.913
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (129 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -28856,9 +28942,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.7
+44:        Time:        0.134        0.067      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2073.576        0.012
+44: Performance:       21.926        1.095
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28874,9 +28960,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.0
+44:        Time:        0.074        0.037      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1410.679        0.017
+44: Performance:       21.129        1.136
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28892,13 +28978,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.6
+44:        Time:        0.070        0.035      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1350.514        0.018
+44: Performance:       22.095        1.086
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (158 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -28955,9 +29041,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      194.9
+44:        Time:        0.123        0.062      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1949.555        0.012
+44: Performance:       23.803        1.008
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28973,9 +29059,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      194.0
+44:        Time:        0.068        0.034      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1305.641        0.018
+44: Performance:       22.695        1.057
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -28991,13 +29077,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      194.5
+44:        Time:        0.067        0.034      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      910.014        0.026
+44: Performance:       23.040        1.042
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (147 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -29054,9 +29140,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.9
+44:        Time:        0.133        0.066      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1893.237        0.013
+44: Performance:       22.105        1.086
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29072,9 +29158,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.8
+44:        Time:        0.072        0.036      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1260.723        0.019
+44: Performance:       21.449        1.119
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29090,14 +29176,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.8
+44:        Time:        0.070        0.035      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1260.236        0.019
+44: Performance:       22.107        1.086
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (9 ms)
-44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact (56 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (157 ms)
+44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact (845 ms total)
 44: 
 44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -29165,9 +29251,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      190.9
+44:        Time:        0.117        0.058      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1049.326        0.023
+44: Performance:       25.189        0.953
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29181,10 +29267,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 10 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      188.0
+44:        Time:        0.065        0.033      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      721.888        0.033
+44: Performance:       23.774        1.010
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29198,14 +29287,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 10 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      189.2
+44:        Time:        0.065        0.032      199.6
 44:                  (ns/day)    (hour/ns)
-44: Performance:      653.605        0.037
+44: Performance:       24.017        0.999
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (19 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (143 ms)
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -29271,9 +29363,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      190.6
+44:        Time:        0.112        0.056      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1015.594        0.024
+44: Performance:       26.190        0.916
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29287,10 +29379,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 11 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      188.9
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      642.912        0.037
+44: Performance:       25.024        0.959
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29304,14 +29399,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 10 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      188.5
+44:        Time:        0.063        0.032      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      677.360        0.035
+44: Performance:       24.662        0.973
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (22 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (138 ms)
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -29377,9 +29475,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.2
+44:        Time:        0.144        0.072      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1217.990        0.020
+44: Performance:       20.358        1.179
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29394,9 +29492,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      189.3
+44:        Time:        0.079        0.040      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      786.849        0.031
+44: Performance:       19.620        1.223
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29411,13 +29509,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.7
+44:        Time:        0.076        0.038      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      625.646        0.038
+44: Performance:       20.509        1.170
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (21 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (169 ms)
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -29483,9 +29581,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      195.3
+44:        Time:        0.129        0.065      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1321.165        0.018
+44: Performance:       22.703        1.057
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29500,9 +29598,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      194.7
+44:        Time:        0.072        0.036      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      796.068        0.030
+44: Performance:       21.682        1.107
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -29517,14 +29615,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      195.1
+44:        Time:        0.070        0.035      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      667.928        0.036
+44: Performance:       22.197        1.081
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (16 ms)
-44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact (78 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (153 ms)
+44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact (603 ms total)
 44: 
 44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -29593,9 +29691,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.0
+44:        Time:        0.110        0.055      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1528.304        0.016
+44: Performance:       26.617        0.902
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29611,9 +29709,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      190.6
+44:        Time:        0.061        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      858.965        0.028
+44: Performance:       25.349        0.947
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29629,13 +29727,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      188.9
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1160.260        0.021
+44: Performance:       24.984        0.961
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (14 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (137 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -29702,9 +29800,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.0
+44:        Time:        0.106        0.053      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1771.304        0.014
+44: Performance:       27.700        0.866
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29720,9 +29818,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.4
+44:        Time:        0.059        0.029      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1161.086        0.021
+44: Performance:       26.361        0.910
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29738,13 +29836,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.3
+44:        Time:        0.060        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1286.584        0.019
+44: Performance:       26.019        0.922
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (12 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (132 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -29801,9 +29899,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.4
+44:        Time:        0.110        0.055      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1925.787        0.012
+44: Performance:       26.636        0.901
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29819,9 +29917,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.5
+44:        Time:        0.061        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1216.974        0.020
+44: Performance:       25.351        0.947
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29837,13 +29935,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.6
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1335.035        0.018
+44: Performance:       24.997        0.960
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (12 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (136 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -29900,9 +29998,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      190.0
+44:        Time:        0.106        0.053      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1105.039        0.022
+44: Performance:       27.630        0.869
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29918,9 +30016,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      188.1
+44:        Time:        0.059        0.030      199.6
 44:                  (ns/day)    (hour/ns)
-44: Performance:      708.250        0.034
+44: Performance:       26.296        0.913
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -29936,13 +30034,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      188.4
+44:        Time:        0.060        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      669.848        0.036
+44: Performance:       25.965        0.924
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (19 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (131 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -30021,9 +30119,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      186.9
+44:        Time:        0.111        0.055      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1110.617        0.022
+44: Performance:       26.511        0.905
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30039,9 +30137,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      187.4
+44:        Time:        0.061        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      743.275        0.032
+44: Performance:       25.327        0.948
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30057,13 +30155,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      188.3
+44:        Time:        0.061        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      683.321        0.035
+44: Performance:       25.479        0.942
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (21 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (137 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -30128,9 +30226,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      192.6
+44:        Time:        0.105        0.053      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      937.971        0.026
+44: Performance:       27.921        0.860
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30146,9 +30244,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      187.9
+44:        Time:        0.059        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      904.462        0.027
+44: Performance:       26.165        0.917
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30164,13 +30262,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      188.6
+44:        Time:        0.058        0.029      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      910.268        0.026
+44: Performance:       26.959        0.890
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (20 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (126 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -30236,13 +30334,10 @@
 44: 
 44: Writing final coordinates.
 44: 
-44: NOTE: 21 % of the run time was spent in pair search,
-44:       you might want to increase nstlist (this has no effect on accuracy)
-44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.3
+44:        Time:        0.138        0.069      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1205.832        0.020
+44: Performance:       21.304        1.127
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30258,9 +30353,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.0
+44:        Time:        0.076        0.038      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1038.361        0.023
+44: Performance:       20.451        1.174
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30276,13 +30371,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.1
+44:        Time:        0.073        0.036      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1018.579        0.024
+44: Performance:       21.373        1.123
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (15 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (159 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (0 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8
@@ -30341,9 +30436,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.2
+44:        Time:        0.138        0.069      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1689.686        0.014
+44: Performance:       21.291        1.127
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30359,9 +30454,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.4
+44:        Time:        0.076        0.038      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1088.979        0.022
+44: Performance:       20.468        1.173
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30377,13 +30472,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.0
+44:        Time:        0.073        0.036      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1136.804        0.021
+44: Performance:       21.358        1.124
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (14 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (162 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]:
@@ -30440,9 +30535,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      195.2
+44:        Time:        0.123        0.062      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1518.135        0.016
+44: Performance:       23.878        1.005
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30458,9 +30553,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.7
+44:        Time:        0.068        0.034      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1078.535        0.022
+44: Performance:       22.733        1.056
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30476,18 +30571,18 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      194.0
+44:        Time:        0.068        0.034      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      950.318        0.025
+44: Performance:       22.987        1.044
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (12 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (146 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10
-44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (1 ms)
+44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (0 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11
 44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (0 ms)
-44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact (140 ms total)
+44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact (1266 ms total)
 44: 
 44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -30546,9 +30641,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      193.8
+44:        Time:        0.134        0.067      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1275.485        0.019
+44: Performance:       21.887        1.097
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30564,9 +30659,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.7
+44:        Time:        0.074        0.037      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1134.432        0.021
+44: Performance:       21.117        1.137
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -30582,18 +30677,18 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.2
+44:        Time:        0.070        0.035      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      869.036        0.028
+44: Performance:       22.069        1.088
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (11 ms)
-44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (11 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (159 ms)
+44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (159 ms total)
 44: 
 44: [----------] 3 tests from Checking/InitialConstraintsTest
 44: [ RUN      ] Checking/InitialConstraintsTest.Works/0
-44: Setting the LD random seed to -271630337
+44: Setting the LD random seed to 2143280894
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -30631,14 +30726,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 13 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      188.6
+44:        Time:        0.026        0.013      199.2
 44:                  (ns/day)    (hour/ns)
-44: Performance:      258.479        0.093
+44: Performance:       13.384        1.793
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_spc-and-methanol.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (5 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (24 ms)
 44: [ RUN      ] Checking/InitialConstraintsTest.Works/1
-44: Setting the LD random seed to -1611989969
+44: Setting the LD random seed to -479873026
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -30677,18 +30775,18 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.3
+44:        Time:        0.037        0.018      199.6
 44:                  (ns/day)    (hour/ns)
-44: Performance:      217.064        0.111
+44: Performance:        9.432        2.544
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_spc-and-methanol.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (4 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (26 ms)
 44: [ RUN      ] Checking/InitialConstraintsTest.Works/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]:
 44:   Integrator method md-vv-avek is implemented primarily for validation
 44:   purposes; for molecular dynamics, you should probably be using md or md-vv
 44: 
-44: Setting the LD random seed to 2113859556
+44: Setting the LD random seed to 1476226037
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -30727,17 +30825,17 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      185.4
+44:        Time:        0.038        0.019      199.4
 44:                  (ns/day)    (hour/ns)
-44: Performance:      392.407        0.061
+44: Performance:        9.177        2.615
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_spc-and-methanol.edr as single precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (5 ms)
-44: [----------] 3 tests from Checking/InitialConstraintsTest (14 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (32 ms)
+44: [----------] 3 tests from Checking/InitialConstraintsTest (82 ms total)
 44: 
 44: [----------] Global test environment tear-down
-44: [==========] 51 tests from 9 test cases ran. (686 ms total)
+44: [==========] 51 tests from 9 test cases ran. (13200 ms total)
 44: [  PASSED  ] 51 tests.
-44/54 Test #44: MdrunIOTests ........................   Passed    0.70 sec
+44/54 Test #44: MdrunIOTests ........................   Passed   13.23 sec
 test 45
       Start 45: MdrunTests
 
@@ -30752,7 +30850,7 @@
 45:   The Berendsen thermostat does not generate the correct kinetic energy
 45:   distribution. You might want to consider using the V-rescale thermostat.
 45: 
-45: Setting the LD random seed to 1304356215
+45: Setting the LD random seed to 2073475455
 45: Generated 2145 of the 2145 non-bonded parameter combinations
 45: Generating 1-4 interactions: fudge = 0.5
 45: Generated 2145 of the 2145 1-4 parameter combinations
@@ -30798,11 +30896,11 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.025        0.013      198.8
+45:        Time:        1.216        0.608      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:     2778.560        0.009
-45: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (60 ms)
-45: [----------] 1 test from DispersionCorrectionTest (60 ms total)
+45: Performance:       57.126        0.420
+45: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (693 ms)
+45: [----------] 1 test from DispersionCorrectionTest (693 ms total)
 45: 
 45: [----------] 1 test from OriresTest
 45: [ RUN      ] OriresTest.OriresCanRun
@@ -30811,7 +30909,7 @@
 45:   The Berendsen thermostat does not generate the correct kinetic energy
 45:   distribution. You might want to consider using the V-rescale thermostat.
 45: 
-45: Setting the LD random seed to -1084271962
+45: Setting the LD random seed to -37724801
 45: Generated 2145 of the 2145 non-bonded parameter combinations
 45: Generating 1-4 interactions: fudge = 0.5
 45: Generated 2145 of the 2145 1-4 parameter combinations
@@ -30850,15 +30948,15 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.007        0.004      197.1
+45:        Time:        0.960        0.480      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:      540.547        0.044
-45: [       OK ] OriresTest.OriresCanRun (132 ms)
-45: [----------] 1 test from OriresTest (132 ms total)
+45: Performance:        3.959        6.062
+45: [       OK ] OriresTest.OriresCanRun (831 ms)
+45: [----------] 1 test from OriresTest (831 ms total)
 45: 
 45: [----------] 3 tests from PmeTest
 45: [ RUN      ] PmeTest.ReproducesEnergies
-45: Setting the LD random seed to 2046799550
+45: Setting the LD random seed to -58911748
 45: Generated 8 of the 10 non-bonded parameter combinations
 45: Excluding 2 bonded neighbours molecule type 'Methanol'
 45: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -30898,10 +30996,13 @@
 45: 
 45: Writing final coordinates.
 45: 
+45: NOTE: 30 % of the run time was spent in pair search,
+45:       you might want to increase nstlist (this has no effect on accuracy)
+45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.029        0.014      199.5
+45:        Time:        0.216        0.108      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:      125.605        0.191
+45: Performance:       16.784        1.430
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as single precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 45: Can not increase nstlist because an NVE ensemble is used
@@ -30917,9 +31018,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.028        0.014      199.5
+45:        Time:        2.656        1.328      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:      128.009        0.187
+45: Performance:        1.366       17.567
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as single precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 45: Can not increase nstlist because an NVE ensemble is used
@@ -30935,18 +31036,18 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.029        0.014      199.5
+45:        Time:        2.504        1.252      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:      126.268        0.190
+45: Performance:        1.449       16.562
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as single precision energy file
-45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (9624 ms)
+45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (19385 ms)
 45: [ RUN      ] PmeTest.ScalesTheBox
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -1545601313
+45: Setting the LD random seed to -755255621
 45: Generated 8 of the 10 non-bonded parameter combinations
 45: Excluding 2 bonded neighbours molecule type 'Methanol'
 45: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -30978,9 +31079,9 @@
 45: 0 steps,      0.0 ps.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      191.1
+45:        Time:        0.001        0.000      183.1
 45:                  (ns/day)    (hour/ns)
-45: Performance:      106.148        0.226
+45: Performance:      189.533        0.127
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as single precision energy file
 45: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K
 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -30989,14 +31090,14 @@
 45: Calculating fourier grid dimensions for X Y Z
 45: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] PmeTest.ScalesTheBox (7 ms)
+45: [       OK ] PmeTest.ScalesTheBox (96 ms)
 45: [ RUN      ] PmeTest.ScalesTheBoxWithWalls
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -274792513
+45: Setting the LD random seed to 2069813239
 45: Generated 8 of the 10 non-bonded parameter combinations
 45: Excluding 2 bonded neighbours molecule type 'Methanol'
 45: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -31029,9 +31130,9 @@
 45: 0 steps,      0.0 ps.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.006        0.003      196.1
+45:        Time:        0.046        0.023      199.5
 45:                  (ns/day)    (hour/ns)
-45: Performance:       30.499        0.787
+45: Performance:        3.788        6.336
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as single precision energy file
 45: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K
 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -31040,8 +31141,8 @@
 45: Calculating fourier grid dimensions for X Y Z
 45: Using a fourier grid of 28x28x128, spacing 0.108 0.108 0.118
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] PmeTest.ScalesTheBoxWithWalls (29982 ms)
-45: [----------] 3 tests from PmeTest (39613 ms total)
+45: [       OK ] PmeTest.ScalesTheBoxWithWalls (71722 ms)
+45: [----------] 3 tests from PmeTest (91203 ms total)
 45: 
 45: [----------] 1 test from CompelTest
 45: [ RUN      ] CompelTest.SwapCanRun
@@ -31050,7 +31151,7 @@
 45:   The Berendsen thermostat does not generate the correct kinetic energy
 45:   distribution. You might want to consider using the V-rescale thermostat.
 45: 
-45: Setting the LD random seed to 1073573884
+45: Setting the LD random seed to -1348485261
 45: Generated 330891 of the 330891 non-bonded parameter combinations
 45: Generating 1-4 interactions: fudge = 0.5
 45: Generated 330891 of the 330891 1-4 parameter combinations
@@ -31109,13 +31210,13 @@
 45: 
 45: Writing final coordinates.
 45: 
-45: NOTE: 39 % of the run time was spent in pair search,
+45: NOTE: 28 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.300        0.150      199.9
+45:        Time:        0.627        0.314      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:        8.647        2.775
+45: Performance:        4.132        5.808
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 45: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 45: 
@@ -31136,15 +31237,15 @@
 45: 
 45: Writing final coordinates.
 45: 
-45: NOTE: 30 % of the run time was spent in pair search,
+45: NOTE: 11 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.207        0.104      199.9
+45:        Time:        0.665        0.332      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:       12.494        1.921
-45: [       OK ] CompelTest.SwapCanRun (543 ms)
-45: [----------] 1 test from CompelTest (543 ms total)
+45: Performance:        3.899        6.155
+45: [       OK ] CompelTest.SwapCanRun (1534 ms)
+45: [----------] 1 test from CompelTest (1534 ms total)
 45: 
 45: [----------] 6 tests from BondedInteractionsTest
 45: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -31153,7 +31254,7 @@
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -809610322
+45: Setting the LD random seed to 1073736957
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -31186,22 +31287,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 17 % of the run time was spent in pair search,
+45: NOTE: 31 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      169.5
+45:        Time:        0.021        0.011      199.4
 45:                  (ns/day)    (hour/ns)
-45: Performance:      452.419        0.053
+45: Performance:        8.122        2.955
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.NormalBondWorks (4 ms)
+45: [       OK ] BondedInteractionsTest.NormalBondWorks (19 ms)
 45: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -1346371585
+45: Setting the LD random seed to -543166753
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -31234,22 +31335,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 17 % of the run time was spent in pair search,
+45: NOTE: 16 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      183.1
+45:        Time:        0.021        0.011      199.5
 45:                  (ns/day)    (hour/ns)
-45: Performance:      526.727        0.046
+45: Performance:        8.157        2.942
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.TabulatedBondWorks (3 ms)
+45: [       OK ] BondedInteractionsTest.TabulatedBondWorks (16 ms)
 45: [ RUN      ] BondedInteractionsTest.NormalAngleWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -94699537
+45: Setting the LD random seed to 2141976567
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -31282,22 +31383,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 16 % of the run time was spent in pair search,
+45: NOTE: 15 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      185.2
+45:        Time:        0.022        0.011      199.5
 45:                  (ns/day)    (hour/ns)
-45: Performance:      527.493        0.045
+45: Performance:        7.781        3.084
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.NormalAngleWorks (4 ms)
+45: [       OK ] BondedInteractionsTest.NormalAngleWorks (16 ms)
 45: [ RUN      ] BondedInteractionsTest.TabulatedAngleWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to 805170684
+45: Setting the LD random seed to -1767907649
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -31330,22 +31431,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 17 % of the run time was spent in pair search,
+45: NOTE: 72 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      184.8
+45:        Time:        0.019        0.010      199.5
 45:                  (ns/day)    (hour/ns)
-45: Performance:      575.219        0.042
+45: Performance:        8.871        2.705
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (3 ms)
+45: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (16 ms)
 45: [ RUN      ] BondedInteractionsTest.NormalDihedralWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -620959886
+45: Setting the LD random seed to -540344903
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -31378,22 +31479,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 16 % of the run time was spent in pair search,
+45: NOTE: 37 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      185.5
+45:        Time:        0.009        0.004      199.1
 45:                  (ns/day)    (hour/ns)
-45: Performance:      549.073        0.044
+45: Performance:       19.468        1.233
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.NormalDihedralWorks (3 ms)
+45: [       OK ] BondedInteractionsTest.NormalDihedralWorks (14 ms)
 45: [ RUN      ] BondedInteractionsTest.TabulatedDihedralWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -21063745
+45: Setting the LD random seed to -537930667
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -31426,24 +31527,24 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 16 % of the run time was spent in pair search,
+45: NOTE: 37 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      185.2
+45:        Time:        0.009        0.005      199.1
 45:                  (ns/day)    (hour/ns)
-45: Performance:      537.667        0.045
+45: Performance:       19.171        1.252
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (4 ms)
-45: [----------] 6 tests from BondedInteractionsTest (21 ms total)
+45: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (16 ms)
+45: [----------] 6 tests from BondedInteractionsTest (97 ms total)
 45: 
 45: [----------] Global test environment tear-down
-45: [==========] 12 tests from 5 test cases ran. (40369 ms total)
+45: [==========] 12 tests from 5 test cases ran. (94358 ms total)
 45: [  PASSED  ] 12 tests.
 45: 
 45:   YOU HAVE 12 DISABLED TESTS
 45: 
-45/54 Test #45: MdrunTests ..........................   Passed   40.39 sec
+45/54 Test #45: MdrunTests ..........................   Passed   94.37 sec
 test 46
       Start 46: MdrunNonIntegratorTests
 
@@ -31463,9 +31564,9 @@
 46: 
 46: Coulomb LJ   comb. SIMD    Mcycles  Mcycles/it.   pairs/cycle
 46:                                                 total    useful
-46: Ewald   all  geom. 4xM       0.121     0.1213   9.8106   5.1902
-46: [       OK ] NonbondedBenchTest.BasicEndToEndTest (16 ms)
-46: [----------] 1 test from NonbondedBenchTest (16 ms total)
+46: Ewald   all  geom. 4xM       0.108     0.1080  11.0259   5.8332
+46: [       OK ] NonbondedBenchTest.BasicEndToEndTest (22 ms)
+46: [----------] 1 test from NonbondedBenchTest (31 ms total)
 46: 
 46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0
@@ -31516,7 +31617,7 @@
 46: Norm of force     =  8.7721851e+01
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (201 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (493 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -31568,7 +31669,7 @@
 46: Norm of force     =  1.8452602e+02
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (185 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (417 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -31618,7 +31719,7 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         turning H bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (61 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (171 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -31675,7 +31776,7 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning H bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (60 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (180 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -31735,7 +31836,7 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    3.000         
Last energy frame read 2 time    3.000         turning all bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (9 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (125 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -31802,8 +31903,8 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning all bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (9 ms)
-46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (526 ms total)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (169 ms)
+46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (1555 ms total)
 46: 
 46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -31843,7 +31944,7 @@
 46: Norm of force     =  1.6383933e+00
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (3 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (18 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -31884,7 +31985,7 @@
 46: Norm of force     =  1.0525324e+00
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Last energy frame read 1 time    0.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (3 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (15 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -31935,7 +32036,7 @@
 46: Norm of force     =  1.0525324e+00
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Last energy frame read 1 time    0.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (23 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -31984,7 +32085,7 @@
 46: Norm of force     =  4.6227534e+03
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (60 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (159 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -32036,7 +32137,7 @@
 46: Norm of force     =  3.6139019e+03
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (61 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (165 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -32098,8 +32199,8 @@
 46: Norm of force     =  6.0643518e+03
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (60 ms)
-46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (190 ms total)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (150 ms)
+46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (530 ms total)
 46: 
 46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0
@@ -32142,9 +32243,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.7
+46:        Time:        0.112        0.056      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2171.517        0.011
+46: Performance:       26.173        0.917
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -32158,18 +32259,18 @@
 46: trr version: GMX_trn_file (single precision)
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 22 % of the run time was spent in pair search,
+46: NOTE: 48 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.3
+46:        Time:        0.034        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4952.246        0.005
+46: Performance:       86.900        0.276
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (6 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (84 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]:
@@ -32210,9 +32311,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      195.6
+46:        Time:        0.128        0.064      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1991.142        0.012
+46: Performance:       22.960        1.045
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -32225,18 +32326,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 26 % of the run time was spent in pair search,
+46: NOTE: 49 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.3
+46:        Time:        0.034        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4757.215        0.005
+46: Performance:       87.556        0.274
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (5 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (89 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]:
@@ -32273,9 +32374,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.3
+46:        Time:        0.105        0.053      198.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2247.572        0.011
+46: Performance:       27.767        0.864
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73
 46: 
@@ -32289,18 +32390,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 23 % of the run time was spent in pair search,
+46: NOTE: 50 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      191.9
+46:        Time:        0.033        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4805.455        0.005
+46: Performance:       87.584        0.274
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (6 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (78 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]:
@@ -32337,9 +32438,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.6
+46:        Time:        0.105        0.053      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2284.239        0.011
+46: Performance:       27.913        0.860
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 46: 
@@ -32353,18 +32454,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 22 % of the run time was spent in pair search,
+46: NOTE: 49 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      191.9
+46:        Time:        0.033        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4877.746        0.005
+46: Performance:       88.656        0.271
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (5 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (78 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]:
@@ -32413,9 +32514,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      191.9
+46:        Time:        0.124        0.062      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2003.445        0.012
+46: Performance:       23.610        1.017
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -32428,18 +32529,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 24 % of the run time was spent in pair search,
+46: NOTE: 41 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      191.6
+46:        Time:        0.030        0.015      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4409.874        0.005
+46: Performance:       98.940        0.243
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (188 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (271 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]:
@@ -32488,9 +32589,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      195.5
+46:        Time:        0.156        0.078      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1569.978        0.015
+46: Performance:       18.879        1.271
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -32503,18 +32604,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 23 % of the run time was spent in pair search,
+46: NOTE: 42 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.1
+46:        Time:        0.030        0.015      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4583.775        0.005
+46: Performance:       99.031        0.242
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (187 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (285 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]:
@@ -32559,9 +32660,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.0
+46:        Time:        0.124        0.062      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1930.615        0.012
+46: Performance:       23.749        1.011
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 100, rlist from 0.733 to 0.824
 46: 
@@ -32575,18 +32676,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 27 % of the run time was spent in pair search,
+46: NOTE: 43 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.1
+46:        Time:        0.038        0.019      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4109.802        0.006
+46: Performance:       77.416        0.310
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (187 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (277 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]:
@@ -32631,9 +32732,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.0
+46:        Time:        0.158        0.079      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1809.279        0.013
+46: Performance:       18.629        1.288
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912
 46: 
@@ -32647,18 +32748,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 23 % of the run time was spent in pair search,
+46: NOTE: 40 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      191.6
+46:        Time:        0.036        0.018      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4126.319        0.006
+46: Performance:       81.752        0.294
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (189 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (289 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]:
@@ -32724,9 +32825,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      195.3
+46:        Time:        0.669        0.335      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:      866.591        0.028
+46: Performance:        4.391        5.466
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -32739,18 +32840,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 19 % of the run time was spent in pair search,
+46: NOTE: 28 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      193.4
+46:        Time:        0.310        0.155      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2408.363        0.010
+46: Performance:        9.486        2.530
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (13 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (550 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]:
@@ -32816,9 +32917,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      195.5
+46:        Time:        0.003        0.001      194.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:      788.909        0.030
+46: Performance:     1015.594        0.024
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -32831,18 +32932,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 18 % of the run time was spent in pair search,
+46: NOTE: 48 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.7
+46:        Time:        0.163        0.081      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2403.665        0.010
+46: Performance:       18.053        1.329
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (15 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (221 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]:
@@ -32904,9 +33005,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.9
+46:        Time:        0.248        0.124      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      818.684        0.029
+46: Performance:       11.839        2.027
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868
 46: 
@@ -32920,18 +33021,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 19 % of the run time was spent in pair search,
+46: NOTE: 34 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      193.4
+46:        Time:        0.952        0.476      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2340.651        0.010
+46: Performance:        3.087        7.775
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (22 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (842 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]:
@@ -32993,9 +33094,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.1
+46:        Time:        1.065        0.532      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:      663.857        0.036
+46: Performance:        2.759        8.698
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869
 46: 
@@ -33009,19 +33110,19 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 19 % of the run time was spent in pair search,
+46: NOTE: 33 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.7
+46:        Time:        0.089        0.044      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2401.791        0.010
+46: Performance:       33.043        0.726
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (20 ms)
-46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (843 ms total)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (650 ms)
+46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (3714 ms total)
 46: 
 46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0
@@ -33074,10 +33175,13 @@
 46: 
 46: Writing final coordinates.
 46: 
+46: NOTE: 16 % of the run time was spent in pair search,
+46:       you might want to increase nstlist (this has no effect on accuracy)
+46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.2
+46:        Time:        0.282        0.141      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      936.545        0.026
+46: Performance:       10.399        2.308
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33090,18 +33194,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 15 % of the run time was spent in pair search,
+46: NOTE: 24 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.1
+46:        Time:        0.069        0.034      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1867.979        0.013
+46: Performance:       42.694        0.562
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (14 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (215 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]:
@@ -33153,9 +33257,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      193.8
+46:        Time:        0.278        0.139      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      939.115        0.026
+46: Performance:       10.556        2.274
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33168,18 +33272,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 15 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.7
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1942.792        0.012
+46: Performance:       68.640        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (14 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (199 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]:
@@ -33231,9 +33335,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.2
+46:        Time:        0.169        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      938.972        0.026
+46: Performance:       17.365        1.382
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33246,18 +33350,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.6
+46:        Time:        0.043        0.021      199.5
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1923.983        0.012
+46: Performance:       68.711        0.349
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (128 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]:
@@ -33309,9 +33413,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.4
+46:        Time:        0.170        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      967.734        0.025
+46: Performance:       17.304        1.387
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33324,18 +33428,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.5
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1923.382        0.012
+46: Performance:       68.739        0.349
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (130 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]:
@@ -33387,9 +33491,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      193.4
+46:        Time:        0.169        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      936.403        0.026
+46: Performance:       17.316        1.386
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33402,18 +33506,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 15 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.7
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2001.492        0.012
+46: Performance:       68.610        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (129 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]:
@@ -33465,9 +33569,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.1
+46:        Time:        0.170        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      946.473        0.025
+46: Performance:       17.276        1.389
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33480,18 +33584,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.0
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2006.708        0.012
+46: Performance:       68.642        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (129 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]:
@@ -33543,9 +33647,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.3
+46:        Time:        0.169        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      945.311        0.025
+46: Performance:       17.348        1.383
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33558,18 +33662,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.3
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2009.982        0.012
+46: Performance:       68.541        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (129 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]:
@@ -33621,9 +33725,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.0
+46:        Time:        0.169        0.084      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      976.942        0.025
+46: Performance:       17.394        1.380
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33636,18 +33740,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 16 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.5
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1904.945        0.013
+46: Performance:       68.526        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (129 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]:
@@ -33699,9 +33803,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      193.9
+46:        Time:        0.170        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      948.513        0.025
+46: Performance:       17.281        1.389
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33714,18 +33818,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.8
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2031.858        0.012
+46: Performance:       68.649        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (14 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (130 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]:
@@ -33777,9 +33881,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.1
+46:        Time:        0.169        0.084      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      949.098        0.025
+46: Performance:       17.384        1.381
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33792,18 +33896,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      189.0
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1979.625        0.012
+46: Performance:       68.607        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (129 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]:
@@ -33855,9 +33959,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.1
+46:        Time:        0.169        0.084      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      958.847        0.025
+46: Performance:       17.392        1.380
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33870,18 +33974,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.3
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2010.638        0.012
+46: Performance:       68.682        0.349
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (129 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]:
@@ -33933,9 +34037,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      196.5
+46:        Time:        0.216        0.108      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      830.045        0.029
+46: Performance:       13.575        1.768
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -33948,18 +34052,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.5
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1978.989        0.012
+46: Performance:       68.603        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (150 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]:
@@ -34011,9 +34115,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.8
+46:        Time:        0.220        0.110      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      802.892        0.030
+46: Performance:       13.345        1.798
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34026,18 +34130,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.8
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2041.960        0.012
+46: Performance:       68.278        0.352
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (152 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]:
@@ -34089,9 +34193,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.8
+46:        Time:        0.217        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      811.459        0.030
+46: Performance:       13.529        1.774
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34104,18 +34208,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.5
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2008.671        0.012
+46: Performance:       68.579        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (150 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]:
@@ -34167,9 +34271,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.7
+46:        Time:        0.217        0.108      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      825.264        0.029
+46: Performance:       13.553        1.771
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34182,18 +34286,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.3
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1852.810        0.013
+46: Performance:       68.457        0.351
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (14 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (150 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]:
@@ -34245,9 +34349,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.8
+46:        Time:        0.217        0.108      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      806.466        0.030
+46: Performance:       13.564        1.769
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34260,18 +34364,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.8
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2038.582        0.012
+46: Performance:       68.574        0.350
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (150 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]:
@@ -34322,10 +34426,13 @@
 46: 
 46: Writing final coordinates.
 46: 
+46: NOTE: 31 % of the run time was spent in pair search,
+46:       you might want to increase nstlist (this has no effect on accuracy)
+46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.7
+46:        Time:        0.217        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      811.352        0.030
+46: Performance:       13.525        1.775
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34338,18 +34445,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 15 % of the run time was spent in pair search,
+46: NOTE: 22 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.5
+46:        Time:        0.076        0.038      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1985.367        0.012
+46: Performance:       38.473        0.624
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (171 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]:
@@ -34401,9 +34508,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      196.8
+46:        Time:        0.363        0.182      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:      833.526        0.029
+46: Performance:        8.089        2.967
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34416,18 +34523,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 20 % of the run time was spent in pair search,
+46: NOTE: 37 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.8
+46:        Time:        0.073        0.037      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1864.022        0.013
+46: Performance:       40.007        0.600
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (14 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (255 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]:
@@ -34479,9 +34586,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.7
+46:        Time:        0.364        0.182      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:      804.780        0.030
+46: Performance:        8.066        2.975
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34494,18 +34601,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 26 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      193.0
+46:        Time:        0.063        0.032      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2019.867        0.012
+46: Performance:       46.369        0.518
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (253 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]:
@@ -34557,9 +34664,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.9
+46:        Time:        0.242        0.121      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      813.172        0.030
+46: Performance:       12.159        1.974
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34572,18 +34679,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.5
+46:        Time:        0.042        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2043.315        0.012
+46: Performance:       69.267        0.346
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (177 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]:
@@ -34635,9 +34742,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      196.8
+46:        Time:        0.298        0.149      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      836.469        0.029
+46: Performance:        9.842        2.439
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34650,18 +34757,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 16 % of the run time was spent in pair search,
+46: NOTE: 25 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.5
+46:        Time:        0.066        0.033      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1952.026        0.012
+46: Performance:       44.454        0.540
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (14 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (199 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]:
@@ -34713,9 +34820,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.6
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      815.541        0.029
+46: Performance:       13.498        1.778
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -34728,18 +34835,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.9
+46:        Time:        0.043        0.021      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2011.294        0.012
+46: Performance:       68.354        0.351
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (13 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (162 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]:
@@ -34787,9 +34894,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.4
+46:        Time:        0.215        0.107      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      809.859        0.030
+46: Performance:       13.685        1.754
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -34803,18 +34910,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.2
+46:        Time:        0.047        0.023      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1939.734        0.012
+46: Performance:       62.516        0.384
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (19 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]:
@@ -34862,9 +34969,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.5
+46:        Time:        0.215        0.107      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      834.656        0.029
+46: Performance:       13.667        1.756
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -34878,18 +34985,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 18 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.6
+46:        Time:        0.047        0.023      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1806.096        0.013
+46: Performance:       62.591        0.383
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (20 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]:
@@ -34937,9 +35044,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.5
+46:        Time:        0.216        0.108      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      839.661        0.029
+46: Performance:       13.616        1.763
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -34953,18 +35060,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      191.3
+46:        Time:        0.047        0.023      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1848.363        0.013
+46: Performance:       62.585        0.383
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (19 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]:
@@ -35012,9 +35119,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.7
+46:        Time:        0.215        0.107      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      846.817        0.028
+46: Performance:       13.675        1.755
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35028,18 +35135,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.3
+46:        Time:        0.047        0.024      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1906.124        0.013
+46: Performance:       62.276        0.385
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (20 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]:
@@ -35087,9 +35194,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.4
+46:        Time:        0.215        0.107      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      845.539        0.028
+46: Performance:       13.675        1.755
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35103,18 +35210,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.6
+46:        Time:        0.047        0.023      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1878.803        0.013
+46: Performance:       62.608        0.383
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (19 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]:
@@ -35162,9 +35269,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.3
+46:        Time:        0.215        0.107      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      830.493        0.029
+46: Performance:       13.676        1.755
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35178,18 +35285,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      191.2
+46:        Time:        0.047        0.024      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1915.012        0.013
+46: Performance:       62.391        0.385
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (19 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]:
@@ -35237,9 +35344,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.6
+46:        Time:        0.215        0.107      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      836.583        0.029
+46: Performance:       13.665        1.756
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35253,18 +35360,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.2
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1925.787        0.012
+46: Performance:       62.240        0.386
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (20 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]:
@@ -35312,9 +35419,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.2
+46:        Time:        0.215        0.107      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      831.614        0.029
+46: Performance:       13.681        1.754
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35328,18 +35435,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.0
+46:        Time:        0.047        0.023      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1930.011        0.012
+46: Performance:       62.577        0.384
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (19 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (160 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]:
@@ -35387,9 +35494,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.6
+46:        Time:        0.215        0.108      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      835.901        0.029
+46: Performance:       13.658        1.757
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35403,18 +35510,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 12 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      191.8
+46:        Time:        0.001        0.001      191.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1854.483        0.013
+46: Performance:     1975.816        0.012
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (20 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (138 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]:
@@ -35462,9 +35569,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.3
+46:        Time:        0.168        0.084      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      836.696        0.029
+46: Performance:       17.491        1.372
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35478,18 +35585,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 48 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      173.6
+46:        Time:        0.265        0.133      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1730.990        0.014
+46: Performance:       11.082        2.166
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (19 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (332 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]:
@@ -35537,9 +35644,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      194.4
+46:        Time:        0.168        0.084      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      851.381        0.028
+46: Performance:       17.483        1.373
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88
 46: 
@@ -35553,24 +35660,24 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      191.9
+46:        Time:        0.497        0.248      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1940.344        0.012
+46: Performance:        5.911        4.060
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.edr as single precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim2.edr as single precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (19 ms)
-46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (506 ms total)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (484 ms)
+46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (5779 ms total)
 46: 
 46: [----------] Global test environment tear-down
-46: [==========] 58 tests from 5 test cases ran. (2081 ms total)
+46: [==========] 58 tests from 5 test cases ran. (11609 ms total)
 46: [  PASSED  ] 58 tests.
-46/54 Test #46: MdrunNonIntegratorTests .............   Passed    2.10 sec
+46/54 Test #46: MdrunNonIntegratorTests .............   Passed   11.64 sec
 test 47
       Start 47: MdrunTpiTests
 
@@ -35604,7 +35711,7 @@
 47: There are:     1      Other residues
 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 47: This run will generate roughly 0 Mb of data
-47: [       OK ] Simple/TpiTest.ReproducesOutput/0 (260 ms)
+47: [       OK ] Simple/TpiTest.ReproducesOutput/0 (483 ms)
 47: [ RUN      ] Simple/TpiTest.ReproducesOutput/1
 47: Ignoring obsolete mdp entry 'ns_type'
 47: Generated 331705 of the 331705 non-bonded parameter combinations
@@ -35630,13 +35737,13 @@
 47: There are:     1      Other residues
 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 47: This run will generate roughly 0 Mb of data
-47: [       OK ] Simple/TpiTest.ReproducesOutput/1 (197 ms)
-47: [----------] 2 tests from Simple/TpiTest (457 ms total)
+47: [       OK ] Simple/TpiTest.ReproducesOutput/1 (644 ms)
+47: [----------] 2 tests from Simple/TpiTest (1127 ms total)
 47: 
 47: [----------] Global test environment tear-down
-47: [==========] 2 tests from 1 test case ran. (457 ms total)
+47: [==========] 2 tests from 1 test case ran. (1127 ms total)
 47: [  PASSED  ] 2 tests.
-47/54 Test #47: MdrunTpiTests .......................   Passed    0.48 sec
+47/54 Test #47: MdrunTpiTests .......................   Passed    1.16 sec
 test 48
       Start 48: MdrunMpiTests
 
@@ -35651,7 +35758,7 @@
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -1778914593
+48: Setting the LD random seed to -1648714850
 48: Generated 3 of the 3 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 3 of the 3 1-4 parameter combinations
@@ -35683,17 +35790,17 @@
 48: starting mdrun 'spc2'
 48: 0 steps,      0.0 ps.
 48: 
-48: NOTE: 25 % of the run time was spent in domain decomposition,
-48:       19 % of the run time was spent in pair search,
+48: NOTE: 32 % of the run time was spent in domain decomposition,
+48:       20 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.001        0.000      290.1
+48:        Time:        0.704        0.176      399.8
 48:                  (ns/day)    (hour/ns)
-48: Performance:      277.692        0.086
+48: Performance:        0.491       48.921
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks (26 ms)
-48: [----------] 1 test from DomainDecompositionSpecialCasesTest (26 ms total)
+48: [       OK ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks (415 ms)
+48: [----------] 1 test from DomainDecompositionSpecialCasesTest (415 ms total)
 48: 
 48: [----------] 4 tests from MimicTest
 48: [ RUN      ] MimicTest.OneQuantumMol
@@ -35702,7 +35809,7 @@
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -1360054786
+48: Setting the LD random seed to -165001
 48: Generated 10 of the 10 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 10 of the 10 1-4 parameter combinations
@@ -35736,24 +35843,24 @@
 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 16 % of the run time was spent in domain decomposition,
-48:       13 % of the run time was spent in pair search,
+48: NOTE: 85 % of the run time was spent in domain decomposition,
+48:       5 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.002        0.000      378.8
+48:        Time:        0.261        0.065      399.8
 48:                  (ns/day)    (hour/ns)
-48: Performance:      187.523        0.128
+48: Performance:        1.323       18.147
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.OneQuantumMol (9 ms)
+48: [       OK ] MimicTest.OneQuantumMol (165 ms)
 48: [ RUN      ] MimicTest.AllQuantumMol
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to 1584910319
+48: Setting the LD random seed to -23088385
 48: Generated 10 of the 10 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 10 of the 10 1-4 parameter combinations
@@ -35787,24 +35894,24 @@
 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 16 % of the run time was spent in domain decomposition,
-48:       12 % of the run time was spent in pair search,
+48: NOTE: 71 % of the run time was spent in domain decomposition,
+48:       5 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.002        0.000      378.7
+48:        Time:        1.112        0.278      400.0
 48:                  (ns/day)    (hour/ns)
-48: Performance:      189.533        0.127
+48: Performance:        0.311       77.253
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.AllQuantumMol (9 ms)
+48: [       OK ] MimicTest.AllQuantumMol (499 ms)
 48: [ RUN      ] MimicTest.TwoQuantumMol
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -58741781
+48: Setting the LD random seed to -201402410
 48: Generated 10 of the 10 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 10 of the 10 1-4 parameter combinations
@@ -35838,24 +35945,27 @@
 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 15 % of the run time was spent in domain decomposition,
-48:       21 % of the run time was spent in pair search,
+48: NOTE: 68 % of the run time was spent in domain decomposition,
+48:       4 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
+48: NOTE: 17 % of the run time was spent communicating energies,
+48:       you might want to increase some nst* mdp options
+48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.002        0.000      380.8
+48:        Time:        0.624        0.156      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:      185.175        0.130
+48: Performance:        0.554       43.345
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.TwoQuantumMol (9 ms)
+48: [       OK ] MimicTest.TwoQuantumMol (548 ms)
 48: [ RUN      ] MimicTest.BondCuts
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -69337411
+48: Setting the LD random seed to 2113403517
 48: Generated 2211 of the 2211 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 2211 of the 2211 1-4 parameter combinations
@@ -35889,22 +35999,25 @@
 48: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 14 % of the run time was spent in domain decomposition,
-48:       18 % of the run time was spent in pair search,
+48: NOTE: 64 % of the run time was spent in domain decomposition,
+48:       2 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
+48: NOTE: 7 % of the run time was spent communicating energies,
+48:       you might want to increase some nst* mdp options
+48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.003        0.001      386.6
+48:        Time:        0.240        0.060      399.8
 48:                  (ns/day)    (hour/ns)
-48: Performance:      123.261        0.195
+48: Performance:        1.437       16.703
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K
 48: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm
 48: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm
 48: Note that mdrun will redetermine rlist based on the actual pair-list setup
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.BondCuts (25 ms)
-48: [----------] 4 tests from MimicTest (52 ms total)
+48: [       OK ] MimicTest.BondCuts (208 ms)
+48: [----------] 4 tests from MimicTest (1420 ms total)
 48: 
 48: [----------] 1 test from MultiSimTerminationTest
 48: [ RUN      ] MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
@@ -35913,7 +36026,7 @@
 48: 
 48: [----------] 3 tests from PmeTest
 48: [ RUN      ] PmeTest.ReproducesEnergies
-48: Setting the LD random seed to -21323873
+48: Setting the LD random seed to -488772006
 48: Generated 8 of the 10 non-bonded parameter combinations
 48: Excluding 2 bonded neighbours molecule type 'Methanol'
 48: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -35957,9 +36070,9 @@
 48: Writing final coordinates.
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.059        0.015      398.9
+48:        Time:        2.527        0.632      400.0
 48:                  (ns/day)    (hour/ns)
-48: Performance:      123.447        0.194
+48: Performance:        2.872        8.357
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 48: Can not increase nstlist because an NVE ensemble is used
@@ -35978,9 +36091,9 @@
 48: Writing final coordinates.
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.056        0.014      399.0
+48:        Time:        2.783        0.717      388.1
 48:                  (ns/day)    (hour/ns)
-48: Performance:      129.513        0.185
+48: Performance:        2.531        9.483
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 48: Can not increase nstlist because an NVE ensemble is used
@@ -35999,18 +36112,18 @@
 48: Writing final coordinates.
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.056        0.014      399.0
+48:        Time:        1.481        0.370      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:      129.785        0.185
+48: Performance:        4.901        4.897
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as single precision energy file
-48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (9713 ms)
+48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (24665 ms)
 48: [ RUN      ] PmeTest.ScalesTheBox
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to 1335615432
+48: Setting the LD random seed to -134383106
 48: Generated 8 of the 10 non-bonded parameter combinations
 48: Excluding 2 bonded neighbours molecule type 'Methanol'
 48: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -36045,9 +36158,9 @@
 48: 0 steps,      0.0 ps.
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.003        0.001      381.3
+48:        Time:        0.364        0.109      334.0
 48:                  (ns/day)    (hour/ns)
-48: Performance:      110.958        0.216
+48: Performance:        0.793       30.255
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K
 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -36056,14 +36169,14 @@
 48: Calculating fourier grid dimensions for X Y Z
 48: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] PmeTest.ScalesTheBox (8 ms)
+48: [       OK ] PmeTest.ScalesTheBox (247 ms)
 48: [ RUN      ] PmeTest.ScalesTheBoxWithWalls
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -268705927
+48: Setting the LD random seed to -67504425
 48: Generated 8 of the 10 non-bonded parameter combinations
 48: Excluding 2 bonded neighbours molecule type 'Methanol'
 48: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -36098,10 +36211,14 @@
 48: starting mdrun 'spc-and-methanol'
 48: 0 steps,      0.0 ps.
 48: 
+48: NOTE: 35 % of the run time was spent in domain decomposition,
+48:       7 % of the run time was spent in pair search,
+48:       you might want to increase nstlist (this has no effect on accuracy)
+48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.011        0.003      393.1
+48:        Time:        0.126        0.032      399.3
 48:                  (ns/day)    (hour/ns)
-48: Performance:       30.020        0.799
+48: Performance:        2.736        8.770
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K
 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -36110,8 +36227,8 @@
 48: Calculating fourier grid dimensions for X Y Z
 48: Using a fourier grid of 28x28x128, spacing 0.108 0.108 0.118
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] PmeTest.ScalesTheBoxWithWalls (29970 ms)
-48: [----------] 3 tests from PmeTest (39691 ms total)
+48: [       OK ] PmeTest.ScalesTheBoxWithWalls (61496 ms)
+48: [----------] 3 tests from PmeTest (86408 ms total)
 48: 
 48: [----------] 1 test from ReplicaExchangeTerminationTest
 48: [ RUN      ] ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
@@ -36169,7 +36286,7 @@
 48: Norm of force     =  8.7722056e+01
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (197 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (766 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -36223,7 +36340,7 @@
 48: Norm of force     =  1.8452919e+02
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (189 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (639 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -36275,7 +36392,7 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         turning H bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (63 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (670 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -36334,7 +36451,7 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning H bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (62 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (726 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -36396,7 +36513,7 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    3.000         
Last energy frame read 2 time    3.000         turning all bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (11 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (713 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -36465,8 +36582,8 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning all bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (12 ms)
-48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (534 ms total)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (1811 ms)
+48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (5325 ms total)
 48: 
 48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -36508,7 +36625,7 @@
 48: Norm of force     =  1.6383933e+00
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (4 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (247 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -36551,7 +36668,7 @@
 48: Norm of force     =  1.0525324e+00
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Last energy frame read 1 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (4 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (404 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -36576,7 +36693,7 @@
 48: 
 48: There was 1 warning
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (2 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -36627,7 +36744,7 @@
 48: Norm of force     =  4.6227537e+03
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (63 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (1134 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -36681,7 +36798,7 @@
 48: Norm of force     =  3.6139019e+03
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (62 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (1348 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -36714,16 +36831,16 @@
 48: 
 48: There was 1 warning
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (59 ms)
-48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (194 ms total)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (88 ms)
+48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (3224 ms total)
 48: 
 48: [----------] Global test environment tear-down
-48: [==========] 22 tests from 7 test cases ran. (40497 ms total)
+48: [==========] 22 tests from 7 test cases ran. (96792 ms total)
 48: [  PASSED  ] 22 tests.
 48: 
 48:   YOU HAVE 4 DISABLED TESTS
 48: 
-48/54 Test #48: MdrunMpiTests .......................   Passed   40.52 sec
+48/54 Test #48: MdrunMpiTests .......................   Passed   96.82 sec
 test 49
       Start 49: MdrunMpiCoordinationTestsOneRank
 
@@ -36772,9 +36889,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.003        0.003       97.8
+49:        Time:        0.005        0.006       99.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:      531.636        0.045
+49: Performance:      265.864        0.090
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -36814,9 +36931,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1024.716        0.023
+49: Performance:     2099.010        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -36858,9 +36975,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.005        0.005       98.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1303.829        0.018
+49: Performance:      311.582        0.077
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -36902,9 +37019,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.000        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1326.571        0.018
+49: Performance:     2836.369        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
@@ -36946,9 +37063,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1590.241        0.015
+49: Performance:     2824.665        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
@@ -36990,13 +37107,13 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.000        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1664.126        0.014
+49: Performance:     2842.914        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-49: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (68 ms)
-49: [----------] 1 test from BasicPropagators/PeriodicActionsTest (68 ms total)
+49: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (77 ms)
+49: [----------] 1 test from BasicPropagators/PeriodicActionsTest (77 ms total)
 49: 
 49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -37039,9 +37156,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.000        0.000       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1973.284        0.012
+49: Performance:     3060.404        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -37081,9 +37198,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.000        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1837.338        0.013
+49: Performance:     2889.584        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37125,9 +37242,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.000        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2089.754        0.011
+49: Performance:     2835.064        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37169,9 +37286,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.5
+49:        Time:        0.000        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1497.471        0.016
+49: Performance:     2911.434        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
@@ -37213,9 +37330,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2119.957        0.011
+49: Performance:     2908.684        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
@@ -37257,12 +37374,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.005        0.005       99.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2133.170        0.011
+49: Performance:      310.061        0.077
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (31 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (50 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -37303,9 +37420,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.000        0.000       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2379.526        0.010
+49: Performance:     3021.380        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -37347,7 +37464,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2303.887        0.010
+49: Performance:     2750.265        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37389,9 +37506,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2349.578        0.010
+49: Performance:     2745.363        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37433,9 +37550,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2456.377        0.010
+49: Performance:     2749.038        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
@@ -37477,9 +37594,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2422.569        0.010
+49: Performance:     2765.078        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
@@ -37521,12 +37638,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.4
+49:        Time:        0.000        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1731.963        0.014
+49: Performance:     2836.369        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (27 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (45 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -37567,9 +37684,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       88.8
+49:        Time:        0.000        0.001       94.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2570.127        0.009
+49: Performance:     2865.392        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -37609,9 +37726,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2474.134        0.010
+49: Performance:     2728.341        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37653,9 +37770,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2528.979        0.009
+49: Performance:     2660.015        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37697,9 +37814,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2623.762        0.009
+49: Performance:     2690.216        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
@@ -37741,9 +37858,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.005        0.005       99.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2684.355        0.009
+49: Performance:      309.003        0.078
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
@@ -37785,12 +37902,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2646.303        0.009
+49: Performance:     2776.293        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (58 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -37829,7 +37946,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.000        0.000       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2996.398        0.008
+49: Performance:     3136.759        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -37865,9 +37982,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.001       95.4
+49:        Time:        0.000        0.000       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2819.494        0.009
+49: Performance:     2937.813        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37905,9 +38022,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.000        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2711.529        0.009
+49: Performance:     2885.524        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -37945,9 +38062,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.000        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2683.185        0.009
+49: Performance:     2923.870        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
@@ -37985,9 +38102,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.001       95.4
+49:        Time:        0.000        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2838.983        0.008
+49: Performance:     2880.128        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
@@ -38025,12 +38142,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2745.363        0.009
+49: Performance:     2850.807        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (21 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (47 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -38067,9 +38184,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.000        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2798.998        0.009
+49: Performance:     2816.915        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -38107,7 +38224,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2704.387        0.009
+49: Performance:     2787.599        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38145,9 +38262,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.0
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2709.144        0.009
+49: Performance:     2724.721        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38185,9 +38302,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       94.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2680.850        0.009
+49: Performance:     2495.178        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
@@ -38225,9 +38342,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2717.509        0.009
+49: Performance:      168.950        0.142
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
@@ -38265,12 +38382,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2715.114        0.009
+49: Performance:     2818.204        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (21 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (57 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -38307,9 +38424,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.001       95.1
+49:        Time:        0.000        0.000       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2816.915        0.009
+49: Performance:     3011.043        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -38345,9 +38462,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.0
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2692.567        0.009
+49: Performance:     2757.652        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38385,9 +38502,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2678.519        0.009
+49: Performance:     2718.709        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38425,9 +38542,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.000        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2622.645        0.009
+49: Performance:     2792.654        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
@@ -38465,9 +38582,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2679.684        0.009
+49: Performance:     2735.610        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
@@ -38505,12 +38622,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.000        0.001       94.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2693.745        0.009
+49: Performance:     2833.760        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (50 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -38551,9 +38668,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.000       95.3
+49:        Time:        0.000        0.000       94.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     3033.281        0.008
+49: Performance:     3028.807        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -38593,9 +38710,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.001       95.3
+49:        Time:        0.000        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2849.488        0.008
+49: Performance:     2885.524        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38637,9 +38754,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       94.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2653.141        0.009
+49: Performance:     2841.602        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38681,9 +38798,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2713.918        0.009
+49: Performance:     2850.807        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
@@ -38725,9 +38842,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2744.140        0.009
+49: Performance:     2876.094        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
@@ -38769,12 +38886,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2702.015        0.009
+49: Performance:     2615.963        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (21 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (59 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -38822,9 +38939,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.001       95.0
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2877.438        0.008
+49: Performance:      166.251        0.144
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -38871,9 +38988,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.003        0.003       98.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2776.293        0.009
+49: Performance:      494.628        0.049
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38922,9 +39039,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.000        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2730.760        0.009
+49: Performance:     2844.226        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -38973,9 +39090,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2752.723        0.009
+49: Performance:     2716.311        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
@@ -39024,9 +39141,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2757.652        0.009
+49: Performance:     2725.926        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
@@ -39075,12 +39192,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2636.112        0.009
+49: Performance:     2705.575        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (21 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (65 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -39121,9 +39238,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.001       94.7
+49:        Time:        0.000        0.001       94.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2896.377        0.008
+49: Performance:     2935.014        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -39163,9 +39280,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.000        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2735.610        0.009
+49: Performance:     2828.555        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39207,9 +39324,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.000        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2636.112        0.009
+49: Performance:     2835.064        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39251,9 +39368,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.0
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2627.119        0.009
+49: Performance:     2777.545        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 49: 
@@ -39295,9 +39412,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.001        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2642.897        0.009
+49: Performance:     2788.861        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 49: 
@@ -39339,12 +39456,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       94.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2680.850        0.009
+49: Performance:     2777.545        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (56 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -39381,9 +39498,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.000        0.001       95.4
+49:        Time:        0.000        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2895.016        0.008
+49: Performance:     2910.058        0.008
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -39419,9 +39536,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2692.567        0.009
+49: Performance:      167.658        0.143
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39459,9 +39576,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2550.970        0.009
+49: Performance:      168.391        0.143
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39499,9 +39616,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.4
+49:        Time:        0.001        0.001       92.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1944.018        0.012
+49: Performance:     2670.392        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 49: 
@@ -39539,9 +39656,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.000        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2586.311        0.009
+49: Performance:     2886.876        0.008
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 49: 
@@ -39579,12 +39696,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.000        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2662.314        0.009
+49: Performance:     2815.628        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (21 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (45 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -39621,9 +39738,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2725.926        0.009
+49: Performance:     2604.902        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -39659,9 +39776,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2536.267        0.009
+49: Performance:     2744.140        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39699,9 +39816,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2522.766        0.010
+49: Performance:     2684.355        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39739,9 +39856,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2578.733        0.009
+49: Performance:     2756.418        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 49: 
@@ -39779,9 +39896,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2640.632        0.009
+49: Performance:     2665.770        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 49: 
@@ -39819,12 +39936,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2596.120        0.009
+49: Performance:     2704.387        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (50 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -39860,13 +39977,10 @@
 49: 
 49: Writing final coordinates.
 49: 
-49: NOTE: 26 % of the run time was spent in pair search,
-49:       you might want to increase nstlist (this has no effect on accuracy)
-49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2015.242        0.012
+49: Performance:      168.825        0.142
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -39902,9 +40016,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.000        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2470.166        0.010
+49: Performance:     2800.270        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39942,9 +40056,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2544.648        0.009
+49: Performance:     2760.123        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -39984,7 +40098,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2629.361        0.009
+49: Performance:     2707.953        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 49: 
@@ -40022,9 +40136,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2542.548        0.009
+49: Performance:     2734.396        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 49: 
@@ -40064,10 +40178,10 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2518.640        0.010
+49: Performance:     2751.493        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (46 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -40108,9 +40222,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2362.191        0.010
+49: Performance:     2469.176        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -40150,9 +40264,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2261.598        0.011
+49: Performance:     2377.690        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40194,9 +40308,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.6
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2256.628        0.011
+49: Performance:     2395.254        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40238,9 +40352,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.001        0.001       97.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2257.455        0.011
+49: Performance:     2329.147        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 49: 
@@ -40282,9 +40396,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.6
+49:        Time:        0.001        0.001       97.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2285.087        0.011
+49: Performance:     2317.755        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 49: 
@@ -40326,12 +40440,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.7
+49:        Time:        0.001        0.001       97.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2194.725        0.011
+49: Performance:     2165.411        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (21 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (58 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -40372,9 +40486,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.005        0.005       99.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2602.701        0.009
+49: Performance:      309.484        0.078
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -40414,9 +40528,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2515.555        0.010
+49: Performance:     2676.192        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40458,9 +40572,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2524.833        0.010
+49: Performance:     2696.102        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40502,9 +40616,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2493.158        0.010
+49: Performance:     2653.141        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 49: 
@@ -40546,9 +40660,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2559.449        0.009
+49: Performance:     2653.141        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 49: 
@@ -40592,10 +40706,10 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2528.979        0.009
+49: Performance:     2629.361        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (46 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -40634,7 +40748,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       97.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2416.867        0.010
+49: Performance:     2514.528        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -40670,9 +40784,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2309.934        0.010
+49: Performance:     2378.608        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40710,9 +40824,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.2
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2291.035        0.010
+49: Performance:     2339.762        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40750,9 +40864,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.001        0.001       97.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2248.392        0.011
+49: Performance:     2382.287        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 49: 
@@ -40790,9 +40904,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.7
+49:        Time:        0.001        0.001       96.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1680.009        0.014
+49: Performance:     2285.087        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 49: 
@@ -40830,12 +40944,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.001        0.001       97.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2153.301        0.011
+49: Performance:     2136.869        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (54 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -40872,9 +40986,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.005        0.005       99.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2790.124        0.009
+49: Performance:      309.998        0.077
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -40910,9 +41024,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.009        0.009       99.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2574.423        0.009
+49: Performance:      165.208        0.145
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40950,9 +41064,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2505.325        0.010
+49: Performance:     2721.110        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -40990,9 +41104,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       93.2
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2495.178        0.010
+49: Performance:     2700.830        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 49: 
@@ -41030,9 +41144,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2533.139        0.009
+49: Performance:     2680.850        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 49: 
@@ -41070,12 +41184,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2530.018        0.009
+49: Performance:     2526.905        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (46 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -41112,9 +41226,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2483.109        0.010
+49: Performance:     2555.203        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -41150,9 +41264,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       92.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2356.769        0.010
+49: Performance:     2337.099        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -41190,9 +41304,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2341.541        0.010
+49: Performance:     2363.097        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -41230,9 +41344,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.7
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1919.786        0.013
+49: Performance:     2393.393        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 49: 
@@ -41270,9 +41384,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2355.868        0.010
+49: Performance:     2387.827        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 49: 
@@ -41310,12 +41424,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2334.442        0.010
+49: Performance:     2415.919        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (21 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (55 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -41352,9 +41466,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2146.548        0.011
+49: Performance:     2250.856        0.011
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -41390,9 +41504,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2013.266        0.012
+49: Performance:     2133.170        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -41430,9 +41544,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2019.205        0.012
+49: Performance:     1981.535        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -41470,9 +41584,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2079.174        0.012
+49: Performance:     1814.074        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 49: 
@@ -41510,9 +41624,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.005        0.005       99.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2084.098        0.012
+49: Performance:      296.839        0.081
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 49: 
@@ -41550,13 +41664,13 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.009        0.009       99.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2069.397        0.012
+49: Performance:      165.603        0.145
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (23 ms)
-49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (405 ms total)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (55 ms)
+49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (942 ms total)
 49: 
 49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -41609,7 +41723,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2598.310        0.009
+49: Performance:     2717.509        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -41657,9 +41771,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2347.787        0.010
+49: Performance:     2596.120        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -41709,9 +41823,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       94.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2373.110        0.010
+49: Performance:     2518.640        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -41761,9 +41875,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2269.095        0.011
+49: Performance:     2593.934        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
@@ -41813,9 +41927,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2305.611        0.010
+49: Performance:     2602.701        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 49: 
@@ -41865,12 +41979,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2355.868        0.010
+49: Performance:     2550.970        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1140 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (2569 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -41921,7 +42035,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2334.442        0.010
+49: Performance:     2650.858        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -41971,7 +42085,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       94.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2275.801        0.011
+49: Performance:     2543.598        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42021,9 +42135,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.0
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2303.026        0.010
+49: Performance:     2499.227        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42073,9 +42187,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.9
+49:        Time:        0.001        0.001       97.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2288.482        0.010
+49: Performance:     1119.091        0.021
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
@@ -42125,9 +42239,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2183.833        0.011
+49: Performance:     2487.119        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 49: 
@@ -42177,12 +42291,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.8
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2189.266        0.011
+49: Performance:     2470.166        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1141 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1364 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -42227,9 +42341,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.9
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2444.680        0.010
+49: Performance:     2675.030        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -42273,9 +42387,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2285.087        0.011
+49: Performance:     2588.485        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42321,9 +42435,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2201.785        0.011
+49: Performance:     2544.648        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42371,7 +42485,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2364.911        0.010
+49: Performance:     2542.548        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
@@ -42417,9 +42531,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.005        0.005       99.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2342.431        0.010
+49: Performance:      305.494        0.079
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 49: 
@@ -42465,12 +42579,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2346.893        0.010
+49: Performance:     2561.577        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1137 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1773 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -42515,9 +42629,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.8
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2377.690        0.010
+49: Performance:     2678.519        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -42561,9 +42675,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2311.667        0.010
+49: Performance:     2500.241        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42609,9 +42723,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.8
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2268.260        0.011
+49: Performance:     2488.123        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42659,7 +42773,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2381.366        0.010
+49: Performance:     2501.256        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
@@ -42705,9 +42819,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.001        0.001       94.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2353.168        0.010
+49: Performance:     2481.109        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 49: 
@@ -42753,12 +42867,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.8
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2308.203        0.010
+49: Performance:     2481.109        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1125 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1632 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -42803,9 +42917,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2322.124        0.010
+49: Performance:     2491.142        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -42849,9 +42963,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2127.277        0.011
+49: Performance:     2376.772        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42897,9 +43011,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2059.710        0.012
+49: Performance:     2308.203        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -42947,7 +43061,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2156.316        0.011
+49: Performance:     2347.787        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
@@ -42993,9 +43107,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2114.862        0.011
+49: Performance:     2328.267        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 49: 
@@ -43041,12 +43155,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2115.589        0.011
+49: Performance:     2315.142        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1131 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (2072 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -43091,9 +43205,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2168.460        0.011
+49: Performance:     2446.622        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -43139,7 +43253,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2102.592        0.011
+49: Performance:     1962.598        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -43185,9 +43299,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2023.848        0.012
+49: Performance:     2303.887        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -43233,9 +43347,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2117.043        0.011
+49: Performance:     2254.976        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
@@ -43281,9 +43395,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2084.803        0.012
+49: Performance:     2258.282        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 49: 
@@ -43331,10 +43445,10 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2116.315        0.011
+49: Performance:     2276.642        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1137 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (2171 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -43383,9 +43497,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.1
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1897.903        0.013
+49: Performance:     2204.937        0.011
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -43433,9 +43547,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.001        0.001       98.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1825.902        0.013
+49: Performance:      984.435        0.024
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -43485,9 +43599,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1872.521        0.013
+49: Performance:     2069.397        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -43537,9 +43651,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.6
+49:        Time:        0.001        0.001       97.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1822.661        0.013
+49: Performance:     2021.856        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
@@ -43589,9 +43703,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.001        0.001       97.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1853.925        0.013
+49: Performance:     2009.326        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 49: 
@@ -43641,12 +43755,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.001        0.001       97.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1863.458        0.013
+49: Performance:     2034.542        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1121 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1428 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -43691,9 +43805,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.1
+49:        Time:        0.001        0.001       97.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1925.186        0.012
+49: Performance:     2102.592        0.011
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -43737,9 +43851,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.0
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1779.490        0.013
+49: Performance:     2004.097        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -43785,9 +43899,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.0
+49:        Time:        0.001        0.001       97.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1801.343        0.013
+49: Performance:     2018.543        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -43833,9 +43947,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1821.583        0.013
+49: Performance:     1913.822        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
@@ -43881,9 +43995,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.2
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1872.521        0.013
+49: Performance:     1996.951        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 49: 
@@ -43929,18 +44043,18 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.001        0.001       97.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1867.979        0.013
+49: Performance:     1917.396        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1121 ms)
-49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (9053 ms total)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1439 ms)
+49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (14448 ms total)
 49: 
 49: [----------] Global test environment tear-down
-49: [==========] 27 tests from 3 test cases ran. (9526 ms total)
+49: [==========] 27 tests from 3 test cases ran. (15467 ms total)
 49: [  PASSED  ] 27 tests.
-49/54 Test #49: MdrunMpiCoordinationTestsOneRank ....   Passed    9.55 sec
+49/54 Test #49: MdrunMpiCoordinationTestsOneRank ....   Passed   15.48 sec
 test 50
       Start 50: MdrunMpiCoordinationTestsTwoRanks
 
@@ -43994,17 +44108,17 @@
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
 50:  Average load imbalance: 1.5%.
-50:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
 50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
-50: NOTE: 39 % of the run time was spent communicating energies,
+50: NOTE: 40 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.006        0.003      195.0
+50:        Time:        0.003        0.001      194.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:      457.628        0.052
+50: Performance:     1038.623        0.023
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -44047,20 +44161,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 10.9%.
-50:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 4.7%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.8%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      190.0
+50:        Time:        0.001        0.001      191.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:      849.327        0.028
+50: Performance:     2033.535        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -44106,18 +44219,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.6%.
-50:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  Average load imbalance: 1.4%.
+50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      190.6
+50:        Time:        0.001        0.001      190.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:      915.325        0.026
+50: Performance:     2256.628        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -44163,24 +44276,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 11.2%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 5.1%.
+50:  Average load imbalance: 37.4%.
+50:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.7%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 5.1 % of the available CPU time was lost due to load imbalance
+50: NOTE: 12.7 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 19 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      190.6
+50:        Time:        0.976        0.504      193.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:      886.799        0.027
+50: Performance:        2.915        8.233
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
@@ -44225,23 +44342,29 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.7%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.2%.
+50:  DLB was turned on during the run due to measured imbalance.
+50:  Average load imbalance: 38.7%.
+50:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 13.7%.
+50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
+50: NOTE: 13.7 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 11 % of the run time was spent in domain decomposition,
-50:       4 % of the run time was spent in pair search,
+50: NOTE: 18 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
 50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 26 % of the run time was spent communicating energies,
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      189.6
+50:        Time:        1.208        0.634      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1089.696        0.022
+50: Performance:        2.317       10.357
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
@@ -44287,23 +44410,32 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 9.6%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 4.6%.
+50:  Average load imbalance: 41.0%.
+50:  The balanceable part of the MD step is 27%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 10.9%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
+50: NOTE: 10.9 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 26 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 13 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      190.7
+50:        Time:        0.510        0.255      200.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1064.557        0.023
+50: Performance:        5.763        4.165
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-50: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (76 ms)
-50: [----------] 1 test from BasicPropagators/PeriodicActionsTest (76 ms total)
+50: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (3739 ms)
+50: [----------] 1 test from BasicPropagators/PeriodicActionsTest (3739 ms total)
 50: 
 50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -44350,19 +44482,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 8.1%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 3.9%.
+50:  Average load imbalance: 37.5%.
+50:  The balanceable part of the MD step is 36%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 13.5%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
+50: NOTE: 13.5 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
+50: 
+50: NOTE: 18 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.1
+50:        Time:        1.101        0.574      191.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1283.323        0.019
+50: Performance:        2.559        9.378
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -44406,19 +44547,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 9.9%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 4.7%.
+50:  Average load imbalance: 31.3%.
+50:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 10.9%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
+50: NOTE: 10.9 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 20 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 17 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      193.1
+50:        Time:        1.096        0.564      194.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1097.949        0.022
+50: Performance:        2.605        9.213
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -44464,24 +44614,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 12.1%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 5.6%.
+50:  Average load imbalance: 40.6%.
+50:  The balanceable part of the MD step is 31%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.8%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 5.6 % of the available CPU time was lost due to load imbalance
+50: NOTE: 12.8 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 23 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 15 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        1.128        0.580      194.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1352.787        0.018
+50: Performance:        2.532        9.480
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -44526,25 +44680,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 13.6%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.4%.
 50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 6.3%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
-50: NOTE: 6.3 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.2
+50:        Time:        0.001        0.001      190.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1393.012        0.017
+50: Performance:     2297.443        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
@@ -44590,24 +44738,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 14.3%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 6.6%.
+50:  Average load imbalance: 41.1%.
+50:  The balanceable part of the MD step is 32%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 13.3%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 6.6 % of the available CPU time was lost due to load imbalance
+50: NOTE: 13.3 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 22 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.7
+50:        Time:        1.165        0.600      194.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1475.238        0.016
+50: Performance:        2.447        9.806
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
@@ -44653,22 +44805,31 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 8.5%.
-50:  The balanceable part of the MD step is 32%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.7%.
+50:  Average load imbalance: 37.4%.
+50:  The balanceable part of the MD step is 19%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 7.3%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
+50: NOTE: 7.3 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
+50: 
+50: NOTE: 25 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 20 % of the run time was spent communicating energies,
+50: NOTE: 10 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.5
+50:        Time:        0.656        0.328      200.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1216.187        0.020
+50: Performance:        4.481        5.356
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (39 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (6406 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -44713,24 +44874,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 16.4%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.7%.
+50:  Average load imbalance: 37.2%.
+50:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.4%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 7.7 % of the available CPU time was lost due to load imbalance
+50: NOTE: 12.4 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 23 % of the run time was spent communicating energies,
+50: NOTE: 20 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.8
+50:        Time:        0.992        0.522      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1493.839        0.016
+50: Performance:        2.815        8.527
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -44773,25 +44938,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 12.8%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.1%.
 50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 5.9%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 50: 
-50: NOTE: 5.9 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      193.2
+50:        Time:        0.001        0.001      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1235.207        0.019
+50: Performance:     1964.788        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -44836,25 +44995,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 12.0%.
-50:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 5.8%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.1%.
+50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 50: 
-50: NOTE: 5.8 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.2
+50:        Time:        0.001        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1535.925        0.016
+50: Performance:     2158.960        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -44899,25 +45052,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 17.9%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 8.6%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.0%.
+50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
-50: NOTE: 8.6 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.6
+50:        Time:        0.001        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1555.705        0.015
+50: Performance:     2090.108        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
@@ -44963,24 +45110,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 17.8%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 8.4%.
+50:  Average load imbalance: 35.2%.
+50:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.5%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 8.4 % of the available CPU time was lost due to load imbalance
+50: NOTE: 12.5 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 22 % of the run time was spent communicating energies,
+50: NOTE: 19 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.3
+50:        Time:        0.992        0.512      193.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1650.306        0.015
+50: Performance:        2.869        8.364
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
@@ -45025,28 +45176,22 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 21.3%.
-50:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.9%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.9%.
+50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
-50: NOTE: 7.9 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 23 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      193.0
+50:        Time:        0.001        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1406.368        0.017
+50: Performance:     2121.417        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (32 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (2973 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -45091,24 +45236,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 17.0%.
-50:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.5%.
+50:  Average load imbalance: 33.2%.
+50:  The balanceable part of the MD step is 37%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.2%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 7.5 % of the available CPU time was lost due to load imbalance
+50: NOTE: 12.2 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 21 % of the run time was spent communicating energies,
+50: NOTE: 18 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 19 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.6
+50:        Time:        1.072        0.552      194.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1487.348        0.016
+50: Performance:        2.662        9.015
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -45152,28 +45301,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 18.0%.
-50:  The balanceable part of the MD step is 44%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.9%.
+50:  Average load imbalance: 37.5%.
+50:  The balanceable part of the MD step is 33%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.5%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 7.9 % of the available CPU time was lost due to load imbalance
+50: NOTE: 12.5 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 11 % of the run time was spent in domain decomposition,
-50:       4 % of the run time was spent in pair search,
+50: NOTE: 20 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
 50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 22 % of the run time was spent communicating energies,
+50: NOTE: 17 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.6
+50:        Time:        1.064        0.548      194.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1534.777        0.016
+50: Performance:        2.681        8.953
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -45218,25 +45367,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 16.7%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.7%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.2%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 50: 
-50: NOTE: 7.7 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 22 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1601.194        0.015
+50: Performance:     2118.863        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -45282,24 +45425,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 14.8%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.1%.
+50:  Average load imbalance: 36.1%.
+50:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.2%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 7.1 % of the available CPU time was lost due to load imbalance
+50: NOTE: 12.2 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 19 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.4
+50:        Time:        1.452        0.750      193.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1589.831        0.015
+50: Performance:        1.959       12.253
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
@@ -45345,24 +45492,28 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 17.9%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 8.5%.
+50:  Average load imbalance: 37.4%.
+50:  The balanceable part of the MD step is 31%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 11.4%.
 50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
-50: NOTE: 8.5 % of the available CPU time was lost due to load imbalance
+50: NOTE: 11.4 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You can consider manually changing the decomposition (option -dd);
 50:       e.g. by using fewer domains along the box dimension in which there is
 50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 22 % of the run time was spent communicating energies,
+50: NOTE: 22 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.1
+50:        Time:        1.072        0.562      190.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1669.085        0.014
+50: Performance:        2.613        9.186
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
@@ -45407,28 +45558,22 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 19.5%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 8.8%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.2%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
-50: NOTE: 8.8 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 22 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.6
+50:        Time:        0.001        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1527.925        0.016
+50: Performance:     2199.427        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (28 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (5738 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -45466,13 +45611,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 26 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.2
+50:        Time:        0.001        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1704.175        0.014
+50: Performance:     2378.608        0.010
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -45509,13 +45654,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1875.942        0.013
+50: Performance:     2443.226        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -45554,13 +45699,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      191.7
+50:        Time:        0.001        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1917.098        0.013
+50: Performance:     2482.609        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -45599,13 +45744,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.4
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1817.821        0.013
+50: Performance:     2376.314        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
@@ -45644,13 +45789,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 22 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.1
+50:        Time:        0.800        0.416      192.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1827.798        0.013
+50: Performance:        3.532        6.795
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
@@ -45689,16 +45834,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
+50: NOTE: 42 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.6
+50:        Time:        0.142        0.071      199.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1821.852        0.013
+50: Performance:       20.724        1.158
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (28 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1766 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -45736,13 +45882,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.1
+50:        Time:        0.001        0.001      188.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1847.531        0.013
+50: Performance:     2356.318        0.010
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -45779,13 +45925,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.3
+50:        Time:        0.001        0.001      188.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1731.720        0.014
+50: Performance:     2321.249        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -45824,13 +45970,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        0.001        0.001      188.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1710.088        0.014
+50: Performance:     2358.122        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -45869,13 +46015,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 20 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.4
+50:        Time:        0.832        0.432      192.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1783.611        0.013
+50: Performance:        3.402        7.055
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
@@ -45914,13 +46060,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 28 % of the run time was spent communicating energies,
+50: NOTE: 17 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 19 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.4
+50:        Time:        0.334        0.167      199.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1590.241        0.015
+50: Performance:        8.795        2.729
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
@@ -45959,16 +46109,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 23 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.6
+50:        Time:        0.001        0.001      188.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1767.999        0.014
+50: Performance:     2290.184        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (29 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (2767 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -46006,13 +46156,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.8
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1761.680        0.014
+50: Performance:     2270.350        0.011
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -46049,13 +46199,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 22 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.3
+50:        Time:        0.824        0.438      188.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1742.989        0.014
+50: Performance:        3.354        7.155
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -46094,13 +46244,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      183.2
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1718.436        0.014
+50: Performance:     2355.868        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -46139,13 +46289,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.3
+50:        Time:        0.001        0.001      188.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1871.668        0.013
+50: Performance:     2338.874        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
@@ -46184,13 +46334,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 22 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.1
+50:        Time:        0.001        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1613.988        0.015
+50: Performance:     2375.398        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
@@ -46229,16 +46379,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 11 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.9
+50:        Time:        0.004        0.002      195.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1764.960        0.014
+50: Performance:      709.991        0.034
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (28 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (2056 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -46280,13 +46430,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      191.9
+50:        Time:        0.001        0.001      189.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1905.240        0.013
+50: Performance:     2210.475        0.011
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -46327,13 +46477,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      191.9
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1881.959        0.013
+50: Performance:     2295.303        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -46376,13 +46526,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 20 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.8
+50:        Time:        0.880        0.456      193.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1781.806        0.013
+50: Performance:        3.222        7.449
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -46425,13 +46575,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.7
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1861.207        0.013
+50: Performance:     2272.024        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
@@ -46474,13 +46624,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      185.1
+50:        Time:        0.001        0.001      187.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1672.484        0.014
+50: Performance:     2129.115        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
@@ -46523,16 +46673,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      191.1
+50:        Time:        0.001        0.001      189.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1875.371        0.013
+50: Performance:     2299.158        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (28 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1812 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -46581,13 +46731,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.0
+50:        Time:        0.001        0.001      188.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1775.899        0.014
+50: Performance:     2207.307        0.011
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -46635,13 +46785,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.8
+50:        Time:        0.001        0.001      188.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1811.939        0.013
+50: Performance:     2212.857        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -46691,13 +46841,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.0
+50:        Time:        0.001        0.001      188.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1736.357        0.014
+50: Performance:     2079.876        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -46747,13 +46897,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.6
+50:        Time:        0.001        0.001      188.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1667.053        0.014
+50: Performance:     2312.969        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
@@ -46803,13 +46953,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.0
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1836.790        0.013
+50: Performance:     2120.686        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
@@ -46859,16 +47009,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1695.032        0.014
+50: Performance:     2079.174        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (29 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1450 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -46910,13 +47060,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 10 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 20 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.0
+50:        Time:        0.856        0.444      192.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1844.213        0.013
+50: Performance:        3.308        7.255
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -46957,13 +47111,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 23 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.2
+50:        Time:        0.001        0.001      188.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1697.835        0.014
+50: Performance:     2315.577        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47006,13 +47160,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.9
+50:        Time:        0.001        0.001      188.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1725.657        0.014
+50: Performance:     2264.508        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47055,13 +47209,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.1
+50:        Time:        0.001        0.001      188.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1705.355        0.014
+50: Performance:     2221.234        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 50: 
@@ -47104,13 +47258,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 23 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.6
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1732.938        0.014
+50: Performance:        3.748        6.403
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
 50: 
@@ -47153,16 +47307,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 23 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.2
+50:        Time:        1.032        0.532      194.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1817.821        0.013
+50: Performance:        2.762        8.691
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (28 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (3844 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -47200,13 +47354,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.3
+50:        Time:        1.319        0.678      194.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1695.732        0.014
+50: Performance:        2.167       11.073
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -47243,13 +47397,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 24 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.4
+50:        Time:        0.779        0.422      184.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1870.531        0.013
+50: Performance:        3.483        6.891
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47288,13 +47442,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.2
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1745.211        0.014
+50: Performance:        3.748        6.403
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47333,13 +47487,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.8
+50:        Time:        0.752        0.392      191.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1839.532        0.013
+50: Performance:        3.748        6.403
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 50: 
@@ -47378,13 +47532,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.3
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1716.999        0.014
+50: Performance:     2331.792        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
 50: 
@@ -47423,16 +47577,20 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 15 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 14 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      185.8
+50:        Time:        0.366        0.183      200.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1668.407        0.014
+50: Performance:        8.018        2.993
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (29 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (5525 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -47470,13 +47628,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1834.602        0.013
+50: Performance:     2309.934        0.010
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -47513,13 +47671,14 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 28 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
+50: NOTE: 93 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      184.2
+50:        Time:        0.020        0.010      199.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1464.541        0.016
+50: Performance:      148.189        0.162
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47558,13 +47717,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.6
+50:        Time:        0.001        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1800.027        0.013
+50: Performance:     2242.662        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47603,13 +47762,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.2
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1776.155        0.014
+50: Performance:     2416.867        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 50: 
@@ -47648,13 +47807,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.5
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1738.317        0.014
+50: Performance:     2287.632        0.010
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
 50: 
@@ -47693,16 +47852,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.3
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1747.191        0.014
+50: Performance:        3.748        6.403
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (29 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (1811 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -47740,13 +47899,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.6
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1628.494        0.015
+50: Performance:        3.747        6.405
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -47783,13 +47942,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.4
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1826.714        0.013
+50: Performance:        3.747        6.405
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47828,13 +47987,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 12 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        0.271        0.136      199.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1733.425        0.014
+50: Performance:       10.820        2.218
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -47873,13 +48036,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.9
+50:        Time:        0.752        0.392      191.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1705.119        0.014
+50: Performance:        3.748        6.403
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 50: 
@@ -47918,13 +48081,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.4
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1739.789        0.014
+50: Performance:        3.748        6.403
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
 50: 
@@ -47963,16 +48126,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.1
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1706.299        0.014
+50: Performance:        3.747        6.405
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (29 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (6324 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -48016,22 +48179,16 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 14.3%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.2%.
 50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.7%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
-50: NOTE: 7.7 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.0
+50:        Time:        0.002        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1140.217        0.021
+50: Performance:     1575.599        0.015
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -48074,22 +48231,16 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 13.7%.
-50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.5%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.5%.
+50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 50: 
-50: NOTE: 7.5 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.8
+50:        Time:        0.002        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1118.684        0.021
+50: Performance:     1617.166        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -48134,22 +48285,16 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 14.2%.
-50:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.4%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.1%.
+50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
-50: NOTE: 7.4 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      191.8
+50:        Time:        0.002        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1104.148        0.022
+50: Performance:     1622.917        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -48194,22 +48339,16 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 12.6%.
-50:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 6.7%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.8%.
+50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 50: 
-50: NOTE: 6.7 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      190.9
+50:        Time:        0.002        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1085.472        0.022
+50: Performance:     1636.932        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 50: 
@@ -48254,22 +48393,16 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 12.1%.
-50:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 6.2%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.1%.
+50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
-50: NOTE: 6.2 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.1
+50:        Time:        0.002        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1165.455        0.021
+50: Performance:     1615.258        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
 50: 
@@ -48314,25 +48447,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 13.1%.
-50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.1%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.5%.
+50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 50: 
-50: NOTE: 7.1 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.0
+50:        Time:        0.002        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1141.802        0.021
+50: Performance:     1617.166        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (31 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (270 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -48376,25 +48503,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 11.4%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 0.8%.
 50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 5.8%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 50: 
-50: NOTE: 5.8 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.5
+50:        Time:        0.001        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1375.747        0.017
+50: Performance:     2001.818        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -48437,25 +48558,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 11.2%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.4%.
 50:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 5.5%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
-50: NOTE: 5.5 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.3
+50:        Time:        0.001        0.001      190.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1475.238        0.016
+50: Performance:     1941.262        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -48500,25 +48615,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 10.9%.
-50:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 5.5%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 0.9%.
+50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 50: 
-50: NOTE: 5.5 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.9
+50:        Time:        0.001        0.001      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1461.415        0.016
+50: Performance:     1935.468        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -48563,25 +48672,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 13.2%.
-50:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 6.7%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.5%.
+50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 50: 
-50: NOTE: 6.7 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 26 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.9
+50:        Time:        0.001        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1358.755        0.018
+50: Performance:     1905.240        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 50: 
@@ -48626,25 +48729,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 13.5%.
-50:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.1%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 1.8%.
+50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
-50: NOTE: 7.1 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 22 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.1
+50:        Time:        0.001        0.001      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1264.619        0.019
+50: Performance:     1902.592        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
 50: 
@@ -48689,28 +48786,22 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was turned on during the run due to measured imbalance.
-50:  Average load imbalance: 13.3%.
-50:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 6.9%.
-50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.2%.
+50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.1%.
 50: 
-50: NOTE: 6.9 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You can consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 26 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.0
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1432.530        0.017
+50: Performance:     1914.417        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (30 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (308 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -48749,9 +48840,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.002        0.001      188.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1182.229        0.020
+50: Performance:     1628.925        0.015
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -48789,9 +48880,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.002        0.001      188.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1184.730        0.020
+50: Performance:     1660.314        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -48831,9 +48922,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.9
+50:        Time:        0.002        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1216.187        0.020
+50: Performance:     1664.126        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -48873,9 +48964,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.3
+50:        Time:        0.002        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1239.556        0.019
+50: Performance:     1612.299        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 50: 
@@ -48915,9 +49006,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.9
+50:        Time:        0.002        0.001      188.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1238.559        0.019
+50: Performance:     1657.187        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
 50: 
@@ -48957,12 +49048,12 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.7
+50:        Time:        0.002        0.001      188.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1202.889        0.020
+50: Performance:     1656.742        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (30 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (275 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -49000,13 +49091,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.9
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1534.203        0.016
+50: Performance:     2107.627        0.011
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -49043,13 +49134,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.8
+50:        Time:        0.001        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1517.761        0.016
+50: Performance:     2074.274        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -49088,13 +49179,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.1
+50:        Time:        0.001        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1543.815        0.016
+50: Performance:     2036.223        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -49133,13 +49224,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.5
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1357.407        0.018
+50: Performance:     2091.172        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 50: 
@@ -49178,13 +49269,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.2
+50:        Time:        0.001        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1583.090        0.015
+50: Performance:     2081.633        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
 50: 
@@ -49223,16 +49314,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 32 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      186.8
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2008.016        0.012
+50: Performance:     2095.796        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (30 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (192 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -49270,13 +49361,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 26 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.9
+50:        Time:        0.001        0.001      190.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1335.920        0.018
+50: Performance:     1896.735        0.013
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -49313,13 +49404,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.9
+50:        Time:        0.001        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1222.825        0.020
+50: Performance:     1897.903        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -49358,13 +49449,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.3
+50:        Time:        0.001        0.001      190.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1347.904        0.018
+50: Performance:     1900.245        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -49403,13 +49494,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.3
+50:        Time:        0.001        0.001      191.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1253.682        0.019
+50: Performance:     1902.886        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 50: 
@@ -49448,13 +49539,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.3
+50:        Time:        0.001        0.001      191.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1359.204        0.018
+50: Performance:     1914.714        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
 50: 
@@ -49493,16 +49584,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.1
+50:        Time:        0.001        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1213.791        0.020
+50: Performance:     1917.695        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (31 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (220 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -49544,9 +49635,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      193.6
+50:        Time:        0.002        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1169.659        0.021
+50: Performance:     1719.155        0.014
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -49583,13 +49674,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      193.9
+50:        Time:        0.002        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1131.214        0.021
+50: Performance:     1704.883        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -49628,13 +49719,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 26 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      193.9
+50:        Time:        0.002        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1132.983        0.021
+50: Performance:     1717.239        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -49673,13 +49764,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 26 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      194.3
+50:        Time:        0.002        0.001      190.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1079.102        0.022
+50: Performance:     1723.002        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 50: 
@@ -49718,13 +49809,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 26 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      193.0
+50:        Time:        0.002        0.001      191.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1103.061        0.022
+50: Performance:     1712.227        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
 50: 
@@ -49763,17 +49854,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 25 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      194.2
+50:        Time:        0.002        0.001      191.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1152.806        0.021
+50: Performance:     1690.381        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (33 ms)
-50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (541 ms total)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (208 ms)
+50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (43945 ms total)
 50: 
 50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -49827,29 +49918,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 22.5%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.4%.
-50: 
-50: NOTE: 10.4 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.8%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 50: 
-50: NOTE: 10 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 19 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.0
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1384.092        0.017
+50: Performance:     2014.253        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -49900,29 +49981,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 26.0%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 11.8%.
-50: 
-50: NOTE: 11.8 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.3%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.6%.
 50: 
-50: NOTE: 10 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 19 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      193.5
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1349.528        0.018
+50: Performance:     2014.912        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -49975,29 +50046,16 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 22.8%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.5%.
-50: 
-50: NOTE: 10.5 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
-50: 
-50: NOTE: 10 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 12.6%.
+50:  The balanceable part of the MD step is 1%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.2%.
 50: 
-50: NOTE: 19 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.5
+50:        Time:        0.031        0.016      199.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1374.672        0.017
+50: Performance:       94.004        0.255
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -50050,29 +50108,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 21.9%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.7%.
 50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.4%.
-50: 
-50: NOTE: 10.4 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  Part of the total run time spent waiting due to load imbalance: 1.7%.
 50: 
-50: NOTE: 10 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 20 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.9
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1378.055        0.017
+50: Performance:     2010.638        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
@@ -50125,29 +50173,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 21.6%.
-50:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.5%.
-50: 
-50: NOTE: 10.5 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.8%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 50: 
-50: NOTE: 10 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 19 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.9
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1383.315        0.017
+50: Performance:     2019.205        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
 50: 
@@ -50200,32 +50238,22 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 22.5%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.0%.
 50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.6%.
-50: 
-50: NOTE: 10.6 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  Part of the total run time spent waiting due to load imbalance: 1.4%.
 50: 
-50: NOTE: 11 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 19 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.7
+50:        Time:        0.001        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1287.480        0.019
+50: Performance:     2046.029        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1147 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (2101 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -50277,29 +50305,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 21.8%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.1%.
-50: 
-50: NOTE: 10.1 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.3%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.1%.
 50: 
-50: NOTE: 12 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 19 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.5
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1315.523        0.018
+50: Performance:     1864.304        0.013
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -50350,25 +50368,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 22.3%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.5%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.2%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.6%.
 50: 
-50: NOTE: 10.5 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 20 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.7
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1359.804        0.018
+50: Performance:     2055.930        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -50421,25 +50433,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 21.7%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.2%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.3%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.6%.
 50: 
-50: NOTE: 10.2 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
 50: 
-50: NOTE: 20 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.3
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1336.644        0.018
+50: Performance:     2042.637        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -50492,29 +50498,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 19.3%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 9.0%.
-50: 
-50: NOTE: 9.0 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.8%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.8%.
 50: 
-50: NOTE: 10 % of the run time was spent in domain decomposition,
-50:       5 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 18 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.7
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1247.084        0.019
+50: Performance:     2027.512        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
@@ -50567,29 +50563,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 22.6%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.4%.
-50: 
-50: NOTE: 10.4 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.6%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.7%.
 50: 
-50: NOTE: 10 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 20 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.1
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1350.711        0.018
+50: Performance:     1996.627        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
 50: 
@@ -50642,32 +50628,22 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 22.0%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.0%.
-50: 
-50: NOTE: 10.0 % of the available CPU time was lost due to load imbalance
-50:       in the domain decomposition.
-50:       You might want to use dynamic load balancing (option -dlb.)
-50:       You can also consider manually changing the decomposition (option -dd);
-50:       e.g. by using fewer domains along the box dimension in which there is
-50:       considerable inhomogeneity in the simulated system.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 2.8%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.3%.
 50: 
-50: NOTE: 13 % of the run time was spent in domain decomposition,
-50:       6 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 19 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.3
+50:        Time:        0.001        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1351.452        0.018
+50: Performance:     2051.480        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1136 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (2148 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -50713,13 +50689,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 8 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      186.8
+50:        Time:        0.002        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1286.136        0.019
+50: Performance:     1846.424        0.013
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -50764,13 +50737,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 8 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.7
+50:        Time:        0.001        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1338.241        0.018
+50: Performance:     1979.943        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -50817,13 +50787,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.5
+50:        Time:        0.001        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1328.144        0.018
+50: Performance:     1948.014        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -50870,13 +50837,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 8 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.1
+50:        Time:        0.001        0.001      189.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1294.650        0.019
+50: Performance:     2062.469        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
@@ -50923,13 +50887,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.6
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1193.914        0.020
+50: Performance:     2022.187        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
 50: 
@@ -50976,16 +50937,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.5
+50:        Time:        0.001        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1327.571        0.018
+50: Performance:     2022.187        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1138 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (2772 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -51031,13 +50989,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 8 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.2
+50:        Time:        0.001        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1373.753        0.017
+50: Performance:     1958.853        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -51082,13 +51037,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 8 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.4
+50:        Time:        0.001        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1259.449        0.019
+50: Performance:     1978.036        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -51135,13 +51087,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 9 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1248.600        0.019
+50: Performance:     1929.104        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -51188,13 +51137,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 8 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.3
+50:        Time:        0.001        0.001      188.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1327.714        0.018
+50: Performance:     1941.568        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
@@ -51241,13 +51187,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 8 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.9
+50:        Time:        0.001        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1308.259        0.018
+50: Performance:     1932.432        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
 50: 
@@ -51294,16 +51237,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.8
+50:        Time:        0.001        0.001      188.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1294.922        0.019
+50: Performance:     1947.706        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1138 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (2568 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -51349,13 +51289,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.0
+50:        Time:        2.016        1.024      196.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1225.623        0.020
+50: Performance:        1.435       16.730
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -51400,13 +51340,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.0
+50:        Time:        0.002        0.001      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1222.219        0.020
+50: Performance:     1829.698        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -51453,13 +51390,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 6 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.0
+50:        Time:        0.001        0.001      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1176.022        0.020
+50: Performance:     1879.662        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -51506,13 +51440,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      193.1
+50:        Time:        2.528        1.290      196.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1257.521        0.019
+50: Performance:        1.139       21.078
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
@@ -51559,13 +51493,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      192.2
+50:        Time:        0.001        0.001      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1177.596        0.020
+50: Performance:     1863.740        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
 50: 
@@ -51612,16 +51543,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      193.1
+50:        Time:        0.002        0.001      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1251.772        0.019
+50: Performance:     1861.207        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1138 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (5698 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -51667,13 +51595,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      193.3
+50:        Time:        0.033        0.017      199.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1166.669        0.021
+50: Performance:       88.457        0.271
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -51718,13 +51643,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
+50: NOTE: 43 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 11 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.5
+50:        Time:        0.581        0.291      200.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1229.169        0.020
+50: Performance:        5.053        4.750
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -51771,13 +51700,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 6 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.4
+50:        Time:        0.002        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1163.254        0.021
+50: Performance:     1811.673        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -51824,13 +51750,14 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
+50: NOTE: 12 % of the run time was spent in domain decomposition,
+50:       2 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.5
+50:        Time:        0.002        0.001      192.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1166.227        0.021
+50: Performance:     1390.810        0.017
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
@@ -51877,13 +51804,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 7 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.1
+50:        Time:        0.002        0.001      190.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1170.103        0.021
+50: Performance:     1689.454        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
 50: 
@@ -51934,12 +51858,12 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.4
+50:        Time:        0.002        0.001      192.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1216.067        0.020
+50: Performance:     1228.311        0.020
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1139 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (2342 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -51992,11 +51916,11 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 14.3%.
-50:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 7.6%.
+50:  Average load imbalance: 16.9%.
+50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 9.3%.
 50: 
-50: NOTE: 7.6 % of the available CPU time was lost due to load imbalance
+50: NOTE: 9.3 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You might want to use dynamic load balancing (option -dlb.)
 50:       You can also consider manually changing the decomposition (option -dd);
@@ -52004,9 +51928,9 @@
 50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.001      190.8
+50:        Time:        0.003        0.002      192.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1004.499        0.024
+50: Performance:      903.644        0.027
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -52058,11 +51982,11 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 20.1%.
-50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 11.0%.
+50:  Average load imbalance: 15.8%.
+50:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 8.8%.
 50: 
-50: NOTE: 11.0 % of the available CPU time was lost due to load imbalance
+50: NOTE: 8.8 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You might want to use dynamic load balancing (option -dlb.)
 50:       You can also consider manually changing the decomposition (option -dd);
@@ -52070,9 +51994,9 @@
 50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      191.4
+50:        Time:        0.003        0.002      191.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:      951.737        0.025
+50: Performance:      950.489        0.025
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -52126,11 +52050,11 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 18.5%.
-50:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.4%.
+50:  Average load imbalance: 17.3%.
+50:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 9.7%.
 50: 
-50: NOTE: 10.4 % of the available CPU time was lost due to load imbalance
+50: NOTE: 9.7 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You might want to use dynamic load balancing (option -dlb.)
 50:       You can also consider manually changing the decomposition (option -dd);
@@ -52138,9 +52062,9 @@
 50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      191.2
+50:        Time:        0.003        0.002      192.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:      976.632        0.025
+50: Performance:      919.080        0.026
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -52194,11 +52118,11 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 16.3%.
-50:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 8.6%.
+50:  Average load imbalance: 17.4%.
+50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 9.6%.
 50: 
-50: NOTE: 8.6 % of the available CPU time was lost due to load imbalance
+50: NOTE: 9.6 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You might want to use dynamic load balancing (option -dlb.)
 50:       You can also consider manually changing the decomposition (option -dd);
@@ -52206,9 +52130,9 @@
 50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      191.5
+50:        Time:        0.003        0.002      191.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:      955.279        0.025
+50: Performance:      918.669        0.026
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
@@ -52262,11 +52186,11 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 16.9%.
-50:  The balanceable part of the MD step is 52%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 8.9%.
+50:  Average load imbalance: 16.5%.
+50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 9.0%.
 50: 
-50: NOTE: 8.9 % of the available CPU time was lost due to load imbalance
+50: NOTE: 9.0 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You might want to use dynamic load balancing (option -dlb.)
 50:       You can also consider manually changing the decomposition (option -dd);
@@ -52274,9 +52198,9 @@
 50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      190.8
+50:        Time:        0.003        0.002      192.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:      943.140        0.025
+50: Performance:      975.086        0.025
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
 50: 
@@ -52330,11 +52254,11 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 19.6%.
+50:  Average load imbalance: 16.6%.
 50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 10.6%.
+50:  Part of the total run time spent waiting due to load imbalance: 9.0%.
 50: 
-50: NOTE: 10.6 % of the available CPU time was lost due to load imbalance
+50: NOTE: 9.0 % of the available CPU time was lost due to load imbalance
 50:       in the domain decomposition.
 50:       You might want to use dynamic load balancing (option -dlb.)
 50:       You can also consider manually changing the decomposition (option -dd);
@@ -52342,12 +52266,12 @@
 50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      191.3
+50:        Time:        0.003        0.002      192.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:      938.543        0.026
+50: Performance:      947.784        0.025
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1142 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1146 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -52393,13 +52317,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 9 % of the run time was spent communicating energies,
+50: NOTE: 8 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      191.0
+50:        Time:        0.003        0.002      191.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:      873.348        0.027
+50: Performance:      866.469        0.028
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -52448,9 +52372,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      191.7
+50:        Time:        0.003        0.002      191.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:      847.808        0.028
+50: Performance:      889.681        0.027
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -52501,9 +52425,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      190.7
+50:        Time:        0.003        0.002      191.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:      895.696        0.027
+50: Performance:      908.374        0.026
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -52554,9 +52478,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      190.8
+50:        Time:        0.003        0.002      191.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:      910.724        0.026
+50: Performance:      894.915        0.027
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
@@ -52607,9 +52531,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      190.0
+50:        Time:        0.003        0.002      191.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:      930.885        0.026
+50: Performance:      884.825        0.027
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
 50: 
@@ -52660,18 +52584,18 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      191.1
+50:        Time:        0.003        0.002      191.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:      876.703        0.027
+50: Performance:      843.570        0.028
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1141 ms)
-50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (9119 ms total)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1149 ms)
+50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (19924 ms total)
 50: 
 50: [----------] Global test environment tear-down
-50: [==========] 27 tests from 3 test cases ran. (9736 ms total)
+50: [==========] 27 tests from 3 test cases ran. (67608 ms total)
 50: [  PASSED  ] 27 tests.
-50/54 Test #50: MdrunMpiCoordinationTestsTwoRanks ...   Passed    9.76 sec
+50/54 Test #50: MdrunMpiCoordinationTestsTwoRanks ...   Passed   67.62 sec
 test 51
       Start 51: GmxapiExternalInterfaceTests
 
@@ -52681,7 +52605,7 @@
 51: [----------] Global test environment set-up.
 51: [----------] 8 tests from GmxApiTest
 51: [ RUN      ] GmxApiTest.ApiRunnerRestrainedMD
-51: Setting the LD random seed to -1006815619
+51: Setting the LD random seed to -71362049
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -52726,12 +52650,12 @@
 51:       you might want to increase nstlist (this has no effect on accuracy)
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.001        0.001      188.8
+51:        Time:        0.001        0.001      189.3
 51:                  (ns/day)    (hour/ns)
-51: Performance:      870.232        0.028
-51: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (249 ms)
+51: Performance:      854.473        0.028
+51: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (241 ms)
 51: [ RUN      ] GmxApiTest.SystemConstruction
-51: Setting the LD random seed to -17826117
+51: Setting the LD random seed to -369134149
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -52758,13 +52682,13 @@
 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 51: Note that mdrun will redetermine rlist based on the actual pair-list setup
 51: This run will generate roughly 0 Mb of data
-51: [       OK ] GmxApiTest.SystemConstruction (190 ms)
+51: [       OK ] GmxApiTest.SystemConstruction (182 ms)
 51: [ RUN      ] GmxApiTest.SaneVersionComparisons
 51: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 51: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 51: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
 51: [ RUN      ] GmxApiTest.RunnerBasicMD
-51: Setting the LD random seed to 1945996927
+51: Setting the LD random seed to -27263233
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -52809,12 +52733,12 @@
 51:       you might want to increase nstlist (this has no effect on accuracy)
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.001        0.001      188.1
+51:        Time:        0.001        0.001      188.4
 51:                  (ns/day)    (hour/ns)
-51: Performance:      875.976        0.027
-51: [       OK ] GmxApiTest.RunnerBasicMD (189 ms)
+51: Performance:      908.975        0.026
+51: [       OK ] GmxApiTest.RunnerBasicMD (184 ms)
 51: [ RUN      ] GmxApiTest.RunnerReinitialize
-51: Setting the LD random seed to -1123093539
+51: Setting the LD random seed to 511377085
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -52860,9 +52784,9 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.002        0.001      192.7
+51:        Time:        0.002        0.001      192.1
 51:                  (ns/day)    (hour/ns)
-51: Performance:     3863.677        0.006
+51: Performance:     4080.034        0.006
 51: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296
 51: 
@@ -52878,12 +52802,12 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.002        0.001      192.3
+51:        Time:        0.002        0.001      192.6
 51:                  (ns/day)    (hour/ns)
-51: Performance:     3895.064        0.006
-51: [       OK ] GmxApiTest.RunnerReinitialize (194 ms)
+51: Performance:     3937.368        0.006
+51: [       OK ] GmxApiTest.RunnerReinitialize (186 ms)
 51: [ RUN      ] GmxApiTest.RunnerContinuedMD
-51: Setting the LD random seed to -1073858051
+51: Setting the LD random seed to -147407891
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -52925,9 +52849,9 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.001        0.001      190.2
+51:        Time:        0.001        0.001      190.3
 51:                  (ns/day)    (hour/ns)
-51: Performance:     2483.469        0.010
+51: Performance:     2690.282        0.009
 51: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 51: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps
 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296
@@ -52945,12 +52869,12 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.002        0.001      192.2
+51:        Time:        0.002        0.001      192.3
 51:                  (ns/day)    (hour/ns)
-51: Performance:     3835.759        0.006
-51: [       OK ] GmxApiTest.RunnerContinuedMD (194 ms)
+51: Performance:     4215.418        0.006
+51: [       OK ] GmxApiTest.RunnerContinuedMD (186 ms)
 51: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
-51: Setting the LD random seed to -79698442
+51: Setting the LD random seed to -540022534
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -52992,9 +52916,9 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.001        0.001      188.0
+51:        Time:        0.001        0.001      187.6
 51:                  (ns/day)    (hour/ns)
-51: Performance:      588.598        0.041
+51: Performance:      621.412        0.039
 51: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 51: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps
 51: Changing nstlist from 10 to 1, rlist from 1.041 to 1
@@ -53009,12 +52933,15 @@
 51: starting mdrun 'Water and methane'
 51: 2 steps,      0.0 ps.
 51: 
+51: NOTE: 15 % of the run time was spent in pair search,
+51:       you might want to increase nstlist (this has no effect on accuracy)
+51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.001        0.000      186.3
+51:        Time:        0.001        0.001      187.9
 51:                  (ns/day)    (hour/ns)
-51: Performance:      690.526        0.035
-51: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (194 ms)
-51: [----------] 8 tests from GmxApiTest (1210 ms total)
+51: Performance:      666.468        0.036
+51: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (186 ms)
+51: [----------] 8 tests from GmxApiTest (1165 ms total)
 51: 
 51: [----------] 1 test from GmxApiBasicTest
 51: [ RUN      ] GmxApiBasicTest.Status
@@ -53022,9 +52949,9 @@
 51: [----------] 1 test from GmxApiBasicTest (0 ms total)
 51: 
 51: [----------] Global test environment tear-down
-51: [==========] 9 tests from 2 test cases ran. (1210 ms total)
+51: [==========] 9 tests from 2 test cases ran. (1165 ms total)
 51: [  PASSED  ] 9 tests.
-51/54 Test #51: GmxapiExternalInterfaceTests ........   Passed    1.23 sec
+51/54 Test #51: GmxapiExternalInterfaceTests ........   Passed    1.18 sec
 test 52
       Start 52: GmxapiMpiTests
 
@@ -53034,7 +52961,7 @@
 52: [----------] Global test environment set-up.
 52: [----------] 8 tests from GmxApiTest
 52: [ RUN      ] GmxApiTest.ApiRunnerRestrainedMD
-52: Setting the LD random seed to -27289
+52: Setting the LD random seed to -281315841
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53076,12 +53003,12 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.001        0.001      189.2
+52:        Time:        0.002        0.001      188.5
 52:                  (ns/day)    (hour/ns)
-52: Performance:      793.485        0.030
-52: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (256 ms)
+52: Performance:      397.783        0.060
+52: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (208 ms)
 52: [ RUN      ] GmxApiTest.SystemConstruction
-52: Setting the LD random seed to -1218421281
+52: Setting the LD random seed to -1075855474
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53108,13 +53035,13 @@
 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 52: Note that mdrun will redetermine rlist based on the actual pair-list setup
 52: This run will generate roughly 0 Mb of data
-52: [       OK ] GmxApiTest.SystemConstruction (192 ms)
+52: [       OK ] GmxApiTest.SystemConstruction (248 ms)
 52: [ RUN      ] GmxApiTest.SaneVersionComparisons
 52: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 52: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 52: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
 52: [ RUN      ] GmxApiTest.RunnerBasicMD
-52: Setting the LD random seed to -135601041
+52: Setting the LD random seed to 1004468179
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53155,13 +53082,16 @@
 52: 
 52: Writing final coordinates.
 52: 
+52: NOTE: 11 % of the run time was spent in pair search,
+52:       you might want to increase nstlist (this has no effect on accuracy)
+52: 
 52:                Core t (s)   Wall t (s)        (%)
 52:        Time:        0.001        0.001      188.4
 52:                  (ns/day)    (hour/ns)
-52: Performance:      792.893        0.030
-52: [       OK ] GmxApiTest.RunnerBasicMD (190 ms)
+52: Performance:      914.062        0.026
+52: [       OK ] GmxApiTest.RunnerBasicMD (189 ms)
 52: [ RUN      ] GmxApiTest.RunnerReinitialize
-52: Setting the LD random seed to 1542438893
+52: Setting the LD random seed to -1082474501
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53207,9 +53137,9 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.002        0.001      192.3
+52:        Time:        0.002        0.001      192.2
 52:                  (ns/day)    (hour/ns)
-52: Performance:     3835.759        0.006
+52: Performance:     3717.750        0.006
 52: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296
 52: 
@@ -53225,12 +53155,12 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.002        0.001      192.5
+52:        Time:        0.002        0.001      192.7
 52:                  (ns/day)    (hour/ns)
-52: Performance:     3678.190        0.007
+52: Performance:     4199.934        0.006
 52: [       OK ] GmxApiTest.RunnerReinitialize (193 ms)
 52: [ RUN      ] GmxApiTest.RunnerContinuedMD
-52: Setting the LD random seed to 1524619199
+52: Setting the LD random seed to -1779803409
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53272,9 +53202,9 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.001        0.001      190.0
+52:        Time:        0.001        0.001      190.4
 52:                  (ns/day)    (hour/ns)
-52: Performance:     2486.642        0.010
+52: Performance:     2518.007        0.010
 52: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 52: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps
 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296
@@ -53292,12 +53222,12 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.002        0.001      192.5
+52:        Time:        0.001        0.001      191.7
 52:                  (ns/day)    (hour/ns)
-52: Performance:     3851.662        0.006
+52: Performance:     4650.677        0.005
 52: [       OK ] GmxApiTest.RunnerContinuedMD (192 ms)
 52: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
-52: Setting the LD random seed to 534642301
+52: Setting the LD random seed to 2080177535
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53338,10 +53268,13 @@
 52: 
 52: Writing final coordinates.
 52: 
+52: NOTE: 13 % of the run time was spent in pair search,
+52:       you might want to increase nstlist (this has no effect on accuracy)
+52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.001        0.001      187.7
+52:        Time:        0.001        0.001      188.2
 52:                  (ns/day)    (hour/ns)
-52: Performance:      593.783        0.040
+52: Performance:      578.023        0.042
 52: Reading file /build/reproducible-path/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision)
 52: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps
 52: Changing nstlist from 10 to 1, rlist from 1.041 to 1
@@ -53357,11 +53290,11 @@
 52: 2 steps,      0.0 ps.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.001        0.000      186.2
+52:        Time:        0.001        0.000      186.5
 52:                  (ns/day)    (hour/ns)
-52: Performance:      693.911        0.035
-52: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (193 ms)
-52: [----------] 8 tests from GmxApiTest (1216 ms total)
+52: Performance:      733.840        0.033
+52: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (192 ms)
+52: [----------] 8 tests from GmxApiTest (1222 ms total)
 52: 
 52: [----------] 1 test from GmxApiBasicTest
 52: [ RUN      ] GmxApiBasicTest.Status
@@ -53369,9 +53302,9 @@
 52: [----------] 1 test from GmxApiBasicTest (0 ms total)
 52: 
 52: [----------] Global test environment tear-down
-52: [==========] 9 tests from 2 test cases ran. (1216 ms total)
+52: [==========] 9 tests from 2 test cases ran. (1222 ms total)
 52: [  PASSED  ] 9 tests.
-52/54 Test #52: GmxapiMpiTests ......................   Passed    1.24 sec
+52/54 Test #52: GmxapiMpiTests ......................   Passed    1.23 sec
 test 53
       Start 53: GmxapiInternalInterfaceTests
 
@@ -53381,7 +53314,7 @@
 53: [----------] Global test environment set-up.
 53: [----------] 2 tests from GmxApiTest
 53: [ RUN      ] GmxApiTest.BuildApiWorkflowImpl
-53: Setting the LD random seed to 790076919
+53: Setting the LD random seed to -404082946
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: Generating 1-4 interactions: fudge = 0.5
 53: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53408,9 +53341,9 @@
 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GmxApiTest.BuildApiWorkflowImpl (199 ms)
+53: [       OK ] GmxApiTest.BuildApiWorkflowImpl (263 ms)
 53: [ RUN      ] GmxApiTest.CreateApiWorkflow
-53: Setting the LD random seed to -269124609
+53: Setting the LD random seed to -604110988
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: Generating 1-4 interactions: fudge = 0.5
 53: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53437,13 +53370,13 @@
 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GmxApiTest.CreateApiWorkflow (185 ms)
-53: [----------] 2 tests from GmxApiTest (385 ms total)
+53: [       OK ] GmxApiTest.CreateApiWorkflow (203 ms)
+53: [----------] 2 tests from GmxApiTest (466 ms total)
 53: 
 53: [----------] Global test environment tear-down
-53: [==========] 2 tests from 1 test case ran. (385 ms total)
+53: [==========] 2 tests from 1 test case ran. (466 ms total)
 53: [  PASSED  ] 2 tests.
-53/54 Test #53: GmxapiInternalInterfaceTests ........   Passed    0.40 sec
+53/54 Test #53: GmxapiInternalInterfaceTests ........   Passed    0.48 sec
 test 54
       Start 54: GmxapiInternalsMpiTests
 
@@ -53453,7 +53386,7 @@
 54: [----------] Global test environment set-up.
 54: [----------] 2 tests from GmxApiTest
 54: [ RUN      ] GmxApiTest.BuildApiWorkflowImpl
-54: Setting the LD random seed to 2141187846
+54: Setting the LD random seed to 1610348014
 54: Generated 331705 of the 331705 non-bonded parameter combinations
 54: Generating 1-4 interactions: fudge = 0.5
 54: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53480,9 +53413,9 @@
 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 54: Note that mdrun will redetermine rlist based on the actual pair-list setup
 54: This run will generate roughly 0 Mb of data
-54: [       OK ] GmxApiTest.BuildApiWorkflowImpl (242 ms)
+54: [       OK ] GmxApiTest.BuildApiWorkflowImpl (244 ms)
 54: [ RUN      ] GmxApiTest.CreateApiWorkflow
-54: Setting the LD random seed to -1352806437
+54: Setting the LD random seed to -436221969
 54: Generated 331705 of the 331705 non-bonded parameter combinations
 54: Generating 1-4 interactions: fudge = 0.5
 54: Generated 331705 of the 331705 1-4 parameter combinations
@@ -53509,24 +53442,24 @@
 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 54: Note that mdrun will redetermine rlist based on the actual pair-list setup
 54: This run will generate roughly 0 Mb of data
-54: [       OK ] GmxApiTest.CreateApiWorkflow (184 ms)
-54: [----------] 2 tests from GmxApiTest (426 ms total)
+54: [       OK ] GmxApiTest.CreateApiWorkflow (183 ms)
+54: [----------] 2 tests from GmxApiTest (427 ms total)
 54: 
 54: [----------] Global test environment tear-down
-54: [==========] 2 tests from 1 test case ran. (426 ms total)
+54: [==========] 2 tests from 1 test case ran. (427 ms total)
 54: [  PASSED  ] 2 tests.
 54/54 Test #54: GmxapiInternalsMpiTests .............   Passed    0.45 sec
 
 100% tests passed, 0 tests failed out of 54
 
 Label Time Summary:
-GTest              = 114.19 sec*proc (54 tests)
-IntegrationTest    =  88.48 sec*proc (12 tests)
-MpiTest            =  61.58 sec*proc (8 tests)
-SlowTest           =  19.30 sec*proc (2 tests)
-UnitTest           =   6.41 sec*proc (40 tests)
+GTest              = 321.99 sec*proc (54 tests)
+IntegrationTest    = 226.11 sec*proc (12 tests)
+MpiTest            = 183.12 sec*proc (8 tests)
+SlowTest           =  83.10 sec*proc (2 tests)
+UnitTest           =  12.78 sec*proc (40 tests)
 
-Total Test time (real) = 114.24 sec
+Total Test time (real) = 322.04 sec
 /usr/bin/make -j12 -C build/basic-dp tests
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/basic-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/basic-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
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+[  5%] Built target mdrun_objlib
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
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+Scanning dependencies of target mdrun_test_infrastructure
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/mpitest.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/mpitest.cpp
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+Scanning dependencies of target onlinehelp-test-shared
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/energyreader.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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-Scanning dependencies of target utility-test
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp
+Scanning dependencies of target gpu_utils-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+Scanning dependencies of target applied_forces-test
+/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build
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 Scanning dependencies of target mdlib-test
-Scanning dependencies of target ewald-test
+Scanning dependencies of target utility-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build
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+Scanning dependencies of target fft-test
+Scanning dependencies of target ewald-test
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp
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-/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build
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-/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp
+/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 69%] Built target testutils-mpi-test
 /usr/bin/make  -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color=
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 Scanning dependencies of target hardware-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build
+[ 69%] Built target utility-mpi-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
-[ 69%] Built target utility-mpi-test
 /usr/bin/make  -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
 Scanning dependencies of target math-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o
 /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
@@ -53836,8 +53769,8 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
@@ -53850,13 +53783,15 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/accessor_policy.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/moduletest.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 69%] Built target domdec-test
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend
@@ -53867,25 +53802,23 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpformat.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/mdmodulenotification.cpp
-/usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o
-/usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 69%] Built target mdrunutility-test-shared
+[ 70%] Built target hardware-test
 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target options-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp
-[ 70%] Built target hardware-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/mdmodulenotification.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o
+/usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 70%] Built target mdrunutility-test-shared
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color=
@@ -53894,42 +53827,45 @@
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp
 [ 70%] Built target pbcutil-test
 /usr/bin/make  -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectorycomparison.cpp
 Scanning dependencies of target random-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectoryreader.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp
 [ 70%] Built target onlinehelp-test
@@ -53941,137 +53877,133 @@
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
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 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_d.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 71%] Built target testutils-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1
+[ 71%] Built target applied_forces-test
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color=
+/usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o
+/usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a
 Scanning dependencies of target table-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/trajectoryreader.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 72%] Built target applied_forces-test
+[ 71%] Built target mdrun_test_infrastructure
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target taskassignment-test
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o
-/usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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-[ 72%] Built target mdrun_test_infrastructure
+[ 72%] Built target testutils-test
 /usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend
-[ 72%] Built target restraintpotential-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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+Scanning dependencies of target topology-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 72%] Built target restraintpotential-test
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color=
-Scanning dependencies of target topology-test
 Scanning dependencies of target pull-test
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-/usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
+[ 72%] Built target pull-test
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/seed.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 72%] Built target gpu_utils-test
 /usr/bin/make  -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target awh-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/seed.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 72%] Built target pull-test
+[ 72%] Built target gpu_utils-test
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp
 Scanning dependencies of target simd-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/base.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/base.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 72%] Built target taskassignment-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 74%] Built target topology-test
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend
+[ 74%] Built target taskassignment-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+/usr/bin/make  -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color=
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target compat-test
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/functions.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target gmxana-test
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/entropy.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests/entropy.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/option.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmetestcommon.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 74%] Built target mdspan-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/depend
@@ -54082,13 +54014,19 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_mindist.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 74%] Built target table-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/depend
@@ -54099,19 +54037,20 @@
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_msd.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxana-test.dir/entropy.cpp.o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxana-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 75%] Built target gmxana-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 74%] Built target awh-test
+[ 75%] Built target awh-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/DependInfo.cmake --color=
@@ -54122,21 +54061,24 @@
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/ewald-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxana-test.dir/entropy.cpp.o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxana-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 74%] Built target ewald-test
+[ 75%] Built target ewald-test
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target gmxpreprocess-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
 /usr/bin/make  -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/editconf.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 75%] Built target gmxana-test
+[ 75%] Built target pdb2gmx3-test
 /usr/bin/make  -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/DependInfo.cmake --color=
@@ -54145,30 +54087,37 @@
 /usr/bin/make  -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/autocorr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/autocorr.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/correlationdataset.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genion.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp
-[ 75%] Built target pdb2gmx3-test
+[ 76%] Built target random-test
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genconf.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp
 Scanning dependencies of target analysisdata-test-shared
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/datatest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx2-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/mock_datamodule.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/correlationfunctions/tests/expfit.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 76%] Built target pdb2gmx2-test
+[ 77%] Built target pdb2gmx2-test
 /usr/bin/make  -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/DependInfo.cmake --color=
@@ -54177,21 +54126,15 @@
 /usr/bin/make  -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/builder.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/builder.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/mock_datamodule.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genrestr.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx1-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 77%] Built target random-test
+[ 77%] Built target pdb2gmx1-test
 /usr/bin/make  -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/energyanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/DependInfo.cmake --color=
@@ -54200,11 +54143,7 @@
 /usr/bin/make  -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/energyanalysis/tests/legacyenergy.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx1-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 77%] Built target pdb2gmx1-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/tools/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/CMakeFiles/tool-test.dir/DependInfo.cmake --color=
@@ -54213,27 +54152,26 @@
 /usr/bin/make  -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/dump.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tools/tests/dump.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/gpp_atomtype.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/correlations-test.dir/autocorr.cpp.o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o CMakeFiles/correlations-test.dir/expfit.cpp.o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/correlations-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/report_methods.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tools/tests/report_methods.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 77%] Built target correlations-test
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp
 Scanning dependencies of target fileio-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/report_methods.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tools/tests/report_methods.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp
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 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/energyanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 78%] Built target energyanalysis-test
 /usr/bin/make  -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/depend
@@ -54245,39 +54183,36 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/readir.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/tool-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -P CMakeFiles/analysisdata-test-shared.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test-shared.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libanalysisdata-test-shared.a CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o
-/usr/bin/ranlib ../../../../lib/libanalysisdata-test-shared.a
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/treesupport.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/readir.cpp
-[ 78%] Built target analysisdata-test-shared
+[ 78%] Built target compat-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp
 Scanning dependencies of target mdrun-modules-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/densityfittingmodule.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -P CMakeFiles/analysisdata-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test-shared.dir/link.txt --verbose=1
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+/usr/bin/ranlib ../../../../lib/libanalysisdata-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 78%] Built target tool-test
+[ 78%] Built target analysisdata-test-shared
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/DependInfo.cmake --color=
@@ -54286,38 +54221,25 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/tpitest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/tool-test.dir/link.txt --verbose=1
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 78%] Built target compat-test
+[ 80%] Built target mdlib-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp
 Scanning dependencies of target mdrun-test
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/dispersion_correction.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/solvate.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/mimic.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 80%] Built target mdrun-tpi-test
+[ 80%] Built target tool-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/DependInfo.cmake --color=
@@ -54326,14 +54248,24 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/compressed_x_output.cpp
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+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/mimic.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-[ 81%] Built target gmxpreprocess-test
+[ 81%] Built target mdrun-tpi-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/DependInfo.cmake --color=
@@ -54342,15 +54274,11 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/simulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/simulator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/defaultinitializationallocator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxpreprocess-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxpreprocess-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 82%] Built target mdlib-test
+[ 82%] Built target gmxpreprocess-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/depend
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target mdrun-mpi-test
@@ -54358,17 +54286,15 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/domain_decomposition.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/setatoms.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/helpwriting.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/enumerationhelpers.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/simulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/simulator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 82%] Built target mdrun-modules-test
+[ 83%] Built target options-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/DependInfo.cmake --color=
@@ -54377,12 +54303,12 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/exactcontinuation.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/outputfiles.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/requirements.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/requirements.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 83%] Built target options-test
+[ 83%] Built target mdrun-modules-test
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/DependInfo.cmake --color=
@@ -54391,17 +54317,26 @@
 /usr/bin/make  -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/periodicactions.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 84%] Built target fileio-test
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 /usr/bin/make  -f src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/DependInfo.cmake --color=
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-coordination-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/coordinateio-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/coordinateio-test.dir/builder.cpp.o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o CMakeFiles/coordinateio-test.dir/requirements.cpp.o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/coordinateio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-output-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/setstarttime.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 84%] Built target mdrun-test
+[ 85%] Built target fileio-test
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 Scanning dependencies of target gmxapi-test
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 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/restraint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/restraint.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/tabulated_bonded_interactions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-coordination-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-coordination-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 84%] Built target mdrun-mpi-coordination-test
+[ 85%] Built target mdrun-mpi-coordination-test
 /usr/bin/make  -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/DependInfo.cmake --color=
@@ -54462,47 +54378,65 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o CMakeFiles/mdrun-test.dir/orires.cpp.o CMakeFiles/mdrun-test.dir/pmetest.cpp.o CMakeFiles/mdrun-test.dir/simulator.cpp.o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/coordinateio/tests/testmodule.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 85%] Built target mdrun-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/version.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/runner.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/version.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-mpi-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_d.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/multisimtest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/rerun.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 85%] Built target coordinateio-test
+[ 85%] Built target workflow-details-mpi-test
 /usr/bin/make  -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/DependInfo.cmake --color=
-[ 87%] Built target mdrun-output-test
-/usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target workflow-details-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 /usr/bin/make  -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/src/api/cpp -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-test.dir/workflow.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/termination.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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 Scanning dependencies of target commandline-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/termination.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp
-[ 88%] Built target workflow-details-test
+[ 88%] Built target coordinateio-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake --color=
@@ -54511,10 +54445,17 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-test.dir/workflow.cpp.o CMakeFiles/workflow-details-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test  ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_d.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/replicaexchange.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 88%] Built target workflow-details-mpi-test
+[ 89%] Built target workflow-details-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color=
@@ -54523,14 +54464,11 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/version.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o CMakeFiles/mdrun-io-test.dir/termination.cpp.o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-io-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 89%] Built target math-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/replicaexchange.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp
+[ 90%] Built target mdrun-io-test
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/DependInfo.cmake --color=
@@ -54539,109 +54477,104 @@
 /usr/bin/make  -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/analysisdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/runner.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/arraydata.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-mpi-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_d.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-[ 89%] Built target gmxapi-mpi-test
+[ 90%] Built target gmxapi-mpi-test
 /usr/bin/make  -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/simple_mdrun.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 Scanning dependencies of target trajectoryanalysis-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/moduletest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/average.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/tests/simple_mdrun.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 90%] Built target mdrunutility-mpi-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 91%] Built target simd-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 89%] Built target mdrunutility-mpi-test
-[ 90%] Built target mdrun-mpi-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-test.dir/status.cpp.o CMakeFiles/gmxapi-test.dir/system.cpp.o CMakeFiles/gmxapi-test.dir/version.cpp.o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-test.dir/runner.cpp.o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test  ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_d.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+[ 92%] Built target mdrun-mpi-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 91%] Built target mdrunutility-test
+[ 94%] Built target gmxapi-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/cmdlinerunner.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o CMakeFiles/mdrun-io-test.dir/termination.cpp.o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-io-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/tests -I/build/reproducible-path/gromacs-2020.6/src/api/cpp/include -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 92%] Built target mdrun-io-test
+[ 95%] Built target mdrunutility-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/angle.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/convert_trj.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/distance.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/extract_cluster.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 94%] Built target simd-test
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+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test  ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
-[ 95%] Built target gmxapi-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/path.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 [ 95%] Built target mdrun-non-integrator-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/arraydata.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/average.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/histogram.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/histogram.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/analysisdata/tests/lifetime.cpp
+[ 96%] Built target commandline-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 95%] Built target selection-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/basic-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryanalysis-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/trajectoryanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 96%] Built target trajectoryanalysis-test
-cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 97%] Built target commandline-test
+[ 96%] Built target selection-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o CMakeFiles/analysisdata-test.dir/average.cpp.o CMakeFiles/analysisdata-test.dir/histogram.cpp.o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/analysisdata-test  ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
-[ 97%] Built target analysisdata-test
+[ 96%] Built target analysisdata-test
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryanalysis-test.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/trajectoryanalysis-test  ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+[ 97%] Built target trajectoryanalysis-test
 cd /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
@@ -54681,26 +54614,26 @@
 1: [----------] Global test environment set-up.
 1: [----------] 10 tests from InteractiveTestHelperTest
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSimpleSession
-1: [       OK ] InteractiveTestHelperTest.ChecksSimpleSession (1 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSimpleSession (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline
 1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput
-1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput
 1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsIncorrectOutput
-1: [       OK ] InteractiveTestHelperTest.DetectsIncorrectOutput (0 ms)
+1: [       OK ] InteractiveTestHelperTest.DetectsIncorrectOutput (1 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingOutput
-1: [       OK ] InteractiveTestHelperTest.DetectsMissingOutput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.DetectsMissingOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingFinalOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsExtraOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingInput
-1: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraInput
 1: [       OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms)
-1: [----------] 10 tests from InteractiveTestHelperTest (4 ms total)
+1: [----------] 10 tests from InteractiveTestHelperTest (1 ms total)
 1: 
 1: [----------] 34 tests from ReferenceDataTest
 1: [ RUN      ] ReferenceDataTest.HandlesSimpleData
@@ -54712,15 +54645,15 @@
 1: [ RUN      ] ReferenceDataTest.HandlesStringBlockData
 1: [       OK ] ReferenceDataTest.HandlesStringBlockData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesVectorData
-1: [       OK ] ReferenceDataTest.HandlesVectorData (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesVectorData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceData
 1: [       OK ] ReferenceDataTest.HandlesSequenceData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceOfCustomData
 1: [       OK ] ReferenceDataTest.HandlesSequenceOfCustomData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesIncorrectData
-1: [       OK ] ReferenceDataTest.HandlesIncorrectData (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesIncorrectData (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesIncorrectDataType
-1: [       OK ] ReferenceDataTest.HandlesIncorrectDataType (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesIncorrectDataType (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMissingData
 1: [       OK ] ReferenceDataTest.HandlesMissingData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUncheckedData
@@ -54732,7 +54665,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesAnys
 1: [       OK ] ReferenceDataTest.HandlesAnys (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTree
-1: [       OK ] ReferenceDataTest.HandlesKeyValueTree (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesKeyValueTree (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTreeExtraKey
 1: [       OK ] ReferenceDataTest.HandlesKeyValueTreeExtraKey (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTreeMissingKey
@@ -54740,7 +54673,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesAnysWithIncorrectValue
 1: [       OK ] ReferenceDataTest.HandlesAnysWithIncorrectValue (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesAnysWithIncorrectType
-1: [       OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMissingReferenceDataFile
 1: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSpecialCharactersInStrings
@@ -54748,7 +54681,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace
 1: [       OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesEmptyStrings
-1: [       OK ] ReferenceDataTest.HandlesEmptyStrings (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesEmptyStrings (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock
 1: [       OK ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceItemIndices
@@ -54758,7 +54691,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesMultipleNullIds
 1: [       OK ] ReferenceDataTest.HandlesMultipleNullIds (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds
-1: [       OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (8 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesReadingValues
 1: [       OK ] ReferenceDataTest.HandlesReadingValues (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges
@@ -54766,12 +54699,12 @@
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges
-1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms)
-1: [----------] 34 tests from ReferenceDataTest (7 ms total)
+1: [----------] 34 tests from ReferenceDataTest (11 ms total)
 1: 
 1: [----------] 7 tests from FloatingPointDifferenceTest
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesEqualValues
@@ -54805,17 +54738,17 @@
 1: [ RUN      ] XvgTests.CreateFile
 1: [       OK ] XvgTests.CreateFile (0 ms)
 1: [ RUN      ] XvgTests.CheckMissing
-1: [       OK ] XvgTests.CheckMissing (1 ms)
+1: [       OK ] XvgTests.CheckMissing (0 ms)
 1: [ RUN      ] XvgTests.CheckExtra
 1: [       OK ] XvgTests.CheckExtra (0 ms)
 1: [ RUN      ] XvgTests.ReadIncorrect
-1: [       OK ] XvgTests.ReadIncorrect (1 ms)
-1: [----------] 4 tests from XvgTests (2 ms total)
+1: [       OK ] XvgTests.ReadIncorrect (0 ms)
+1: [----------] 4 tests from XvgTests (0 ms total)
 1: 
 1: [----------] Global test environment tear-down
-1: [==========] 59 tests from 5 test cases ran. (13 ms total)
+1: [==========] 59 tests from 5 test cases ran. (12 ms total)
 1: [  PASSED  ] 59 tests.
- 1/54 Test  #1: TestUtilsUnitTests ..................   Passed    0.04 sec
+ 1/54 Test  #1: TestUtilsUnitTests ..................   Passed    0.06 sec
 test 2
       Start  2: TestUtilsMpiUnitTests
 
@@ -54825,13 +54758,13 @@
 2: [----------] Global test environment set-up.
 2: [----------] 1 test from MpiSelfTest
 2: [ RUN      ] MpiSelfTest.Runs
-2: [       OK ] MpiSelfTest.Runs (0 ms)
-2: [----------] 1 test from MpiSelfTest (0 ms total)
+2: [       OK ] MpiSelfTest.Runs (24 ms)
+2: [----------] 1 test from MpiSelfTest (24 ms total)
 2: 
 2: [----------] Global test environment tear-down
-2: [==========] 1 test from 1 test case ran. (1 ms total)
+2: [==========] 1 test from 1 test case ran. (24 ms total)
 2: [  PASSED  ] 1 test.
- 2/54 Test  #2: TestUtilsMpiUnitTests ...............   Passed    0.02 sec
+ 2/54 Test  #2: TestUtilsMpiUnitTests ...............   Passed    0.05 sec
 test 3
       Start  3: UtilityUnitTests
 
@@ -54961,7 +54894,7 @@
 3: [ RUN      ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks
-3: [       OK ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks (1 ms)
+3: [       OK ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/1.ConstructFromPointersWorks
 3: [       OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/1.ConstructFromNonConstPointersWorks
@@ -54972,7 +54905,7 @@
 3: [       OK ] ArrayRefTest/1.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/1 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/1 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef<int>
 3: [ RUN      ] ArrayRefTest/2.MakeWithAssignmentWorks
@@ -55251,7 +55184,7 @@
 3: [ RUN      ] ArrayRefTest/15.MakeWithAssignmentWorks
 3: [       OK ] ArrayRefTest/15.MakeWithAssignmentWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks
-3: [       OK ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks (1 ms)
+3: [       OK ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks
@@ -55266,7 +55199,7 @@
 3: [       OK ] ArrayRefTest/15.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/15 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/15 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/16, where TypeParam = gmx::ArrayRef<long const>
 3: [ RUN      ] ArrayRefTest/16.MakeWithAssignmentWorks
@@ -55287,7 +55220,7 @@
 3: [       OK ] ArrayRefTest/16.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/16 (0 ms total)
+3: [----------] 9 tests from ArrayRefTest/16 (1 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/17, where TypeParam = gmx::ArrayRef<unsigned long const>
 3: [ RUN      ] ArrayRefTest/17.MakeWithAssignmentWorks
@@ -55413,14 +55346,14 @@
 3: 
 3: [----------] 4 tests from KeyValueTreeSerializerTest
 3: [ RUN      ] KeyValueTreeSerializerTest.EmptyTree
-3: [       OK ] KeyValueTreeSerializerTest.EmptyTree (1 ms)
+3: [       OK ] KeyValueTreeSerializerTest.EmptyTree (0 ms)
 3: [ RUN      ] KeyValueTreeSerializerTest.SimpleObject
 3: [       OK ] KeyValueTreeSerializerTest.SimpleObject (0 ms)
 3: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithArrays
 3: [       OK ] KeyValueTreeSerializerTest.ObjectWithArrays (0 ms)
 3: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithObjects
 3: [       OK ] KeyValueTreeSerializerTest.ObjectWithObjects (0 ms)
-3: [----------] 4 tests from KeyValueTreeSerializerTest (1 ms total)
+3: [----------] 4 tests from KeyValueTreeSerializerTest (0 ms total)
 3: 
 3: [----------] 6 tests from TreeValueTransformTest
 3: [ RUN      ] TreeValueTransformTest.SimpleTransforms
@@ -55452,12 +55385,12 @@
 3: [ RUN      ] LoggerTest.LevelFilteringWorks
 3: [       OK ] LoggerTest.LevelFilteringWorks (0 ms)
 3: [ RUN      ] LoggerTest.LogsToMultipleStreams
-3: [       OK ] LoggerTest.LogsToMultipleStreams (1 ms)
+3: [       OK ] LoggerTest.LogsToMultipleStreams (0 ms)
 3: [ RUN      ] LoggerTest.LogsToMultipleFiles
 3: [       OK ] LoggerTest.LogsToMultipleFiles (0 ms)
 3: [ RUN      ] LoggerTest.LogsToStreamAndFile
 3: [       OK ] LoggerTest.LogsToStreamAndFile (0 ms)
-3: [----------] 7 tests from LoggerTest (1 ms total)
+3: [----------] 7 tests from LoggerTest (0 ms total)
 3: 
 3: [----------] 4 tests from MutexBasicTest
 3: [ RUN      ] MutexBasicTest.CanBeMade
@@ -55472,12 +55405,12 @@
 3: 
 3: [----------] 3 tests from MutexTaskTest
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithLock
-3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (0 ms)
+3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (14 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread
-3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (1 ms)
+3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (20 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread
 3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms)
-3: [----------] 3 tests from MutexTaskTest (1 ms total)
+3: [----------] 3 tests from MutexTaskTest (34 ms total)
 3: 
 3: [----------] 2 tests from PathTest
 3: [ RUN      ] PathTest.StripSourcePrefixWorks
@@ -55503,11 +55436,11 @@
 3: [ RUN      ] StringUtilityTest.StripString
 3: [       OK ] StringUtilityTest.StripString (0 ms)
 3: [ RUN      ] StringUtilityTest.SplitString
-3: [       OK ] StringUtilityTest.SplitString (0 ms)
+3: [       OK ] StringUtilityTest.SplitString (1 ms)
 3: [ RUN      ] StringUtilityTest.SplitDelimitedString
 3: [       OK ] StringUtilityTest.SplitDelimitedString (0 ms)
 3: [ RUN      ] StringUtilityTest.SplitAndTrimDelimitedString
-3: [       OK ] StringUtilityTest.SplitAndTrimDelimitedString (1 ms)
+3: [       OK ] StringUtilityTest.SplitAndTrimDelimitedString (0 ms)
 3: [ RUN      ] StringUtilityTest.CanCompareCaseInsensitive
 3: [       OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms)
 3: [ RUN      ] StringUtilityTest.CanCompareCaseInsensitiveInLength
@@ -55587,7 +55520,7 @@
 3: [       OK ] TextWriterTest.TracksNewlines (0 ms)
 3: [ RUN      ] TextWriterTest.PreservesTrailingWhitespace
 3: [       OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms)
-3: [----------] 6 tests from TextWriterTest (1 ms total)
+3: [----------] 6 tests from TextWriterTest (0 ms total)
 3: 
 3: [----------] 1 test from TypeTraitsTest
 3: [ RUN      ] TypeTraitsTest.IsIntegralConstant
@@ -55665,24 +55598,24 @@
 3: 
 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (15 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (1 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms)
-3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total)
+3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (95 ms total)
 3: 
 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0
@@ -55702,9 +55635,9 @@
 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total)
 3: 
 3: [----------] Global test environment tear-down
-3: [==========] 347 tests from 56 test cases ran. (10 ms total)
+3: [==========] 347 tests from 56 test cases ran. (141 ms total)
 3: [  PASSED  ] 347 tests.
- 3/54 Test  #3: UtilityUnitTests ....................   Passed    0.05 sec
+ 3/54 Test  #3: UtilityUnitTests ....................   Passed    0.18 sec
 test 4
       Start  4: UtilityMpiUnitTests
 
@@ -55714,15 +55647,15 @@
 4: [----------] Global test environment set-up.
 4: [----------] 2 tests from PhysicalNodeCommunicatorTest
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanConstruct
-4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (1 ms)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (52 ms)
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanCallBarrier
-4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (6 ms)
-4: [----------] 2 tests from PhysicalNodeCommunicatorTest (7 ms total)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (48 ms)
+4: [----------] 2 tests from PhysicalNodeCommunicatorTest (100 ms total)
 4: 
 4: [----------] Global test environment tear-down
-4: [==========] 2 tests from 1 test case ran. (7 ms total)
+4: [==========] 2 tests from 1 test case ran. (100 ms total)
 4: [  PASSED  ] 2 tests.
- 4/54 Test  #4: UtilityMpiUnitTests .................   Passed    0.02 sec
+ 4/54 Test  #4: UtilityMpiUnitTests .................   Passed    0.13 sec
 test 5
       Start  5: MdlibUnitTest
 
@@ -55737,21 +55670,21 @@
 5: 
 5: [----------] 2 tests from PrEbinTest
 5: [ RUN      ] PrEbinTest.HandlesAverages
-5: [       OK ] PrEbinTest.HandlesAverages (1 ms)
+5: [       OK ] PrEbinTest.HandlesAverages (0 ms)
 5: [ RUN      ] PrEbinTest.HandlesEmptyAverages
 5: [       OK ] PrEbinTest.HandlesEmptyAverages (0 ms)
-5: [----------] 2 tests from PrEbinTest (1 ms total)
+5: [----------] 2 tests from PrEbinTest (0 ms total)
 5: 
 5: [----------] 4 tests from ShakeTest
 5: [ RUN      ] ShakeTest.ConstrainsOneBond
-5: [       OK ] ShakeTest.ConstrainsOneBond (1 ms)
+5: [       OK ] ShakeTest.ConstrainsOneBond (0 ms)
 5: [ RUN      ] ShakeTest.ConstrainsTwoDisjointBonds
 5: [       OK ] ShakeTest.ConstrainsTwoDisjointBonds (0 ms)
 5: [ RUN      ] ShakeTest.ConstrainsTwoBondsWithACommonAtom
 5: [       OK ] ShakeTest.ConstrainsTwoBondsWithACommonAtom (0 ms)
 5: [ RUN      ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms
 5: [       OK ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms (0 ms)
-5: [----------] 4 tests from ShakeTest (1 ms total)
+5: [----------] 4 tests from ShakeTest (0 ms total)
 5: 
 5: [----------] 1 test from NullSignalTest
 5: [ RUN      ] NullSignalTest.NullSignallerWorks
@@ -55773,11 +55706,11 @@
 5: [       OK ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace (0 ms)
 5: [ RUN      ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace
 5: [       OK ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace (0 ms)
-5: [----------] 7 tests from SignalTest (1 ms total)
+5: [----------] 7 tests from SignalTest (0 ms total)
 5: 
 5: [----------] 9 tests from UpdateGroups
 5: [ RUN      ] UpdateGroups.ethaneUA
-5: [       OK ] UpdateGroups.ethaneUA (0 ms)
+5: [       OK ] UpdateGroups.ethaneUA (1 ms)
 5: [ RUN      ] UpdateGroups.methane
 5: [       OK ] UpdateGroups.methane (0 ms)
 5: [ RUN      ] UpdateGroups.ethane
@@ -55794,16 +55727,16 @@
 5: [       OK ] UpdateGroups.waterFlexAngle (0 ms)
 5: [ RUN      ] UpdateGroups.twoMoltypes
 5: [       OK ] UpdateGroups.twoMoltypes (0 ms)
-5: [----------] 9 tests from UpdateGroups (0 ms total)
+5: [----------] 9 tests from UpdateGroups (1 ms total)
 5: 
 5: [----------] 1 test from UpdateGroupsCog
 5: [ RUN      ] UpdateGroupsCog.ComputesCogs
-5: [       OK ] UpdateGroupsCog.ComputesCogs (1 ms)
-5: [----------] 1 test from UpdateGroupsCog (1 ms total)
+5: [       OK ] UpdateGroupsCog.ComputesCogs (0 ms)
+5: [----------] 1 test from UpdateGroupsCog (0 ms total)
 5: 
 5: [----------] 84 tests from WithParameters/ConstraintsTest
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/0
-5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (1 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/1
 5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/2
@@ -55817,7 +55750,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2
 5: [       OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3
-5: [       OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4
 5: [       OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5
@@ -55861,13 +55794,13 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5
-5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 (8 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8
-5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10
@@ -55905,7 +55838,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/10
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/11
-5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 (1 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/12
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/13
@@ -55917,7 +55850,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/16
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/17
-5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/18
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/19
@@ -55953,7 +55886,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/14
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/15
-5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/16
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/17
@@ -55970,42 +55903,42 @@
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/23
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms)
-5: [----------] 84 tests from WithParameters/ConstraintsTest (4 ms total)
+5: [----------] 84 tests from WithParameters/ConstraintsTest (10 ms total)
 5: 
 5: [----------] 11 tests from WithParameters/EnergyOutputTest
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/0
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/1
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (0 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/2
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/3
-5: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (1 ms)
+5: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (0 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/4
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (9 ms)
+5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (13 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/5
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (2 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/6
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/7
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (5 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/8
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/9
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as double precision energy file
 5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/10
 5: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as double precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (2 ms)
-5: [----------] 11 tests from WithParameters/EnergyOutputTest (31 ms total)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (1 ms)
+5: [----------] 11 tests from WithParameters/EnergyOutputTest (35 ms total)
 5: 
 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0
@@ -56097,17 +56030,17 @@
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/2
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/2 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/3
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (1 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/4
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/5
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/6
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (4 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (3 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/7
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/8
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/8 (1 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/8 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/9
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/10
@@ -56122,11 +56055,11 @@
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/15
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (1 ms)
-5: [----------] 16 tests from WithParameters/LeapFrogTest (16 ms total)
+5: [----------] 16 tests from WithParameters/LeapFrogTest (18 ms total)
 5: 
 5: [----------] 13 tests from WithParameters/SettleTest
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/0
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/1
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/2
@@ -56134,29 +56067,29 @@
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/3
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/3 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/4
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/4 (0 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/4 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/5
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/6
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/7
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (0 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (8 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/8
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/9
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/10
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (0 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/11
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/12
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (0 ms)
-5: [----------] 13 tests from WithParameters/SettleTest (6 ms total)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (1 ms)
+5: [----------] 13 tests from WithParameters/SettleTest (12 ms total)
 5: 
 5: [----------] Global test environment tear-down
-5: [==========] 187 tests from 13 test cases ran. (63 ms total)
+5: [==========] 187 tests from 13 test cases ran. (77 ms total)
 5: [  PASSED  ] 187 tests.
- 5/54 Test  #5: MdlibUnitTest .......................   Passed    0.09 sec
+ 5/54 Test  #5: MdlibUnitTest .......................   Passed    0.12 sec
 test 6
       Start  6: AppliedForcesUnitTest
 
@@ -56173,7 +56106,7 @@
 6: 
 6: [----------] 8 tests from DensityFittingOptionsTest
 6: [ RUN      ] DensityFittingOptionsTest.DefaultParameters
-6: [       OK ] DensityFittingOptionsTest.DefaultParameters (1 ms)
+6: [       OK ] DensityFittingOptionsTest.DefaultParameters (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.OptionSetsActive
 6: [       OK ] DensityFittingOptionsTest.OptionSetsActive (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive
@@ -56183,12 +56116,12 @@
 6: [ RUN      ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup
 6: [       OK ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.InternalsToKvt
-6: [       OK ] DensityFittingOptionsTest.InternalsToKvt (0 ms)
+6: [       OK ] DensityFittingOptionsTest.InternalsToKvt (1 ms)
 6: [ RUN      ] DensityFittingOptionsTest.KvtToInternal
-6: [       OK ] DensityFittingOptionsTest.KvtToInternal (1 ms)
+6: [       OK ] DensityFittingOptionsTest.KvtToInternal (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent
 6: [       OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (0 ms)
-6: [----------] 8 tests from DensityFittingOptionsTest (2 ms total)
+6: [----------] 8 tests from DensityFittingOptionsTest (1 ms total)
 6: 
 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest
 6: [ RUN      ] DensityFittingAmplitudeLookupTest.Unity
@@ -56214,12 +56147,12 @@
 6: [       OK ] ElectricFieldTest.Oscillating (0 ms)
 6: [ RUN      ] ElectricFieldTest.Pulsed
 6: [       OK ] ElectricFieldTest.Pulsed (0 ms)
-6: [----------] 3 tests from ElectricFieldTest (1 ms total)
+6: [----------] 3 tests from ElectricFieldTest (0 ms total)
 6: 
 6: [----------] Global test environment tear-down
-6: [==========] 20 tests from 4 test cases ran. (4 ms total)
+6: [==========] 20 tests from 4 test cases ran. (2 ms total)
 6: [  PASSED  ] 20 tests.
- 6/54 Test  #6: AppliedForcesUnitTest ...............   Passed    0.02 sec
+ 6/54 Test  #6: AppliedForcesUnitTest ...............   Passed    0.03 sec
 test 7
       Start  7: CommandLineUnitTests
 
@@ -56231,16 +56164,16 @@
 7: [ RUN      ] CommandLineHelpModuleTest.PrintsGeneralHelp
 7: [       OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (1 ms)
 7: [ RUN      ] CommandLineHelpModuleTest.PrintsHelpOnTopic
-7: [       OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (1 ms)
+7: [       OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms)
 7: [ RUN      ] CommandLineHelpModuleTest.ExportsHelp
 7: [       OK ] CommandLineHelpModuleTest.ExportsHelp (1 ms)
-7: [----------] 3 tests from CommandLineHelpModuleTest (3 ms total)
+7: [----------] 3 tests from CommandLineHelpModuleTest (2 ms total)
 7: 
 7: [----------] 7 tests from CommandLineHelpWriterTest
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionTypes
 7: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables
-7: [       OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (1 ms)
+7: [       OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongFileOptions
 7: [       OK ] CommandLineHelpWriterTest.HandlesLongFileOptions (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongOptions
@@ -56250,8 +56183,8 @@
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesHelpText
 7: [       OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesKnownIssues
-7: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (1 ms)
-7: [----------] 7 tests from CommandLineHelpWriterTest (2 ms total)
+7: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms)
+7: [----------] 7 tests from CommandLineHelpWriterTest (0 ms total)
 7: 
 7: [----------] 6 tests from CommandLineModuleManagerTest
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModule
@@ -56295,7 +56228,7 @@
 7: [       OK ] CommandLineParserTest.CanAllowPositionalArguments (0 ms)
 7: [ RUN      ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions
 7: [       OK ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions (0 ms)
-7: [----------] 13 tests from CommandLineParserTest (1 ms total)
+7: [----------] 13 tests from CommandLineParserTest (0 ms total)
 7: 
 7: [----------] 6 tests from CommandLineProgramContextTest
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath
@@ -56347,7 +56280,7 @@
 7: [ RUN      ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName
 7: [       OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension
-7: [       OK ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension (1 ms)
+7: [       OK ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.HandlesNonExistentInputFiles
 7: [       OK ] ParseCommonArgsTest.HandlesNonExistentInputFiles (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles
@@ -56359,17 +56292,17 @@
 7: [ RUN      ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension
 7: [       OK ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFile
-7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (1 ms)
+7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName
 7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CanKeepUnknownArgs
 7: [       OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms)
-7: [----------] 21 tests from ParseCommonArgsTest (2 ms total)
+7: [----------] 21 tests from ParseCommonArgsTest (0 ms total)
 7: 
 7: [----------] Global test environment tear-down
-7: [==========] 59 tests from 7 test cases ran. (9 ms total)
+7: [==========] 59 tests from 7 test cases ran. (7 ms total)
 7: [  PASSED  ] 59 tests.
- 7/54 Test  #7: CommandLineUnitTests ................   Passed    0.03 sec
+ 7/54 Test  #7: CommandLineUnitTests ................   Passed    0.02 sec
 test 8
       Start  8: DomDecTests
 
@@ -56402,9 +56335,9 @@
 8: [----------] 2 tests from LocalAtomSetManager (0 ms total)
 8: 
 8: [----------] Global test environment tear-down
-8: [==========] 9 tests from 2 test cases ran. (1 ms total)
+8: [==========] 9 tests from 2 test cases ran. (0 ms total)
 8: [  PASSED  ] 9 tests.
- 8/54 Test  #8: DomDecTests .........................   Passed    0.02 sec
+ 8/54 Test  #8: DomDecTests .........................   Passed    0.03 sec
 test 9
       Start  9: EwaldUnitTests
 
@@ -56414,67 +56347,67 @@
 9: [----------] Global test environment set-up.
 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (1 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (0 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (0 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (1 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (4 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (10 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms)
-9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (5 ms total)
+9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (11 ms total)
 9: 
 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (4 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (7 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (3 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (9 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (3 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (2 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (3 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (0 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (3 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (11 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (6 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (0 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (3 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (9 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (3 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (1 ms)
-9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (45 ms total)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (0 ms)
+9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (56 ms total)
 9: 
 9: [----------] 144 tests from SaneInput/PmeGatherTest
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/0
@@ -56500,11 +56433,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/10
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/11
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/12
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/13
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/14
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/15
@@ -56516,9 +56449,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/18
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/19
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/20
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/21
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/22
@@ -56530,17 +56463,17 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/25
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/26
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/27
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/27 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/28
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/28 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/29
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/30
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/31
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/32
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/32 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/33
@@ -56566,13 +56499,13 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/43
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/43 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/44
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/45
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/45 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/46
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/46 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/47
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/48
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/48 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/49
@@ -56580,17 +56513,17 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/50
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/50 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/51
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/51 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/51 (8 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/52
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/53
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/54
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/54 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/55
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/55 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/56
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/57
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/57 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/58
@@ -56602,9 +56535,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/61
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/61 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/62
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/63
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/64
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/65
@@ -56616,11 +56549,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/68
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/69
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/70
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/70 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/71
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/72
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/73
@@ -56630,31 +56563,31 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/75
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/75 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/76
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/77
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/77 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/78
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/78 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/79
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/79 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/79 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/80
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/80 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/81
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/82
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/83
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/83 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/84
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (8 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/85
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/86
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/87
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/87 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/88
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/89
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/90
@@ -56682,11 +56615,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/101
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/102
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/103
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/104
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/105
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/105 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/106
@@ -56694,7 +56627,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/107
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/108
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/109
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/110
@@ -56704,13 +56637,13 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/112
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/112 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/113
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/114
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/115
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/115 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/116
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/117
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/117 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/118
@@ -56750,95 +56683,95 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/135
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/135 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/136
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/136 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/136 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/137
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/137 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/138
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/138 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/139
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/140
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/141
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/142
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/143
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (0 ms)
-9: [----------] 144 tests from SaneInput/PmeGatherTest (23 ms total)
+9: [----------] 144 tests from SaneInput/PmeGatherTest (33 ms total)
 9: 
 9: [----------] 16 tests from SaneInput/PmeSolveTest
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (8 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/2
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/4
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/8
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/9
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/10
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (4 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/11
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/12
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/13
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/13 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/14
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/15
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (0 ms)
-9: [----------] 16 tests from SaneInput/PmeSolveTest (8 ms total)
+9: [----------] 16 tests from SaneInput/PmeSolveTest (19 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (8 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
-9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (3 ms total)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (1 ms)
+9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (11 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (0 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 (0 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (0 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (1 ms)
-9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (5 ms total)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
+9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (3 ms total)
 9: 
 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0
@@ -56846,120 +56779,120 @@
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (9 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (0 ms)
-9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (6 ms total)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (1 ms)
+9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (14 ms total)
 9: 
 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (5 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (8 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (0 ms)
-9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (7 ms total)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (1 ms)
+9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (19 ms total)
 9: 
 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (9 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (1 ms)
-9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (8 ms total)
+9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (16 ms total)
 9: 
 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (5 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (10 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (3 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (6 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (10 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (2 ms)
-9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (24 ms total)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (3 ms)
+9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (57 ms total)
 9: 
 9: [----------] Global test environment tear-down
-9: [==========] 257 tests from 10 test cases ran. (149 ms total)
+9: [==========] 257 tests from 10 test cases ran. (288 ms total)
 9: [  PASSED  ] 257 tests.
- 9/54 Test  #9: EwaldUnitTests ......................   Passed    0.19 sec
+ 9/54 Test  #9: EwaldUnitTests ......................   Passed    0.35 sec
 test 10
       Start 10: FFTUnitTests
 
@@ -56969,48 +56902,48 @@
 10: [----------] Global test environment set-up.
 10: [----------] 2 tests from ManyFFTTest
 10: [ RUN      ] ManyFFTTest.Complex1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (5 ms)
+10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (2 ms)
 10: [ RUN      ] ManyFFTTest.Real1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (8 ms)
+10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (11 ms)
 10: [----------] 2 tests from ManyFFTTest (13 ms total)
 10: 
 10: [----------] 1 test from FFTTest
 10: [ RUN      ] FFTTest.Real2DLength18_15Test
-10: [       OK ] FFTTest.Real2DLength18_15Test (3 ms)
-10: [----------] 1 test from FFTTest (3 ms total)
+10: [       OK ] FFTTest.Real2DLength18_15Test (1 ms)
+10: [----------] 1 test from FFTTest (1 ms total)
 10: 
 10: [----------] 1 test from FFFTest3D
 10: [ RUN      ] FFFTest3D.Real5_6_9
-10: [       OK ] FFFTest3D.Real5_6_9 (2 ms)
-10: [----------] 1 test from FFFTest3D (2 ms total)
+10: [       OK ] FFFTest3D.Real5_6_9 (1 ms)
+10: [----------] 1 test from FFFTest3D (1 ms total)
 10: 
 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/0
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/1
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (0 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/2
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (2 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (5 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/4
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/0
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/1
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/1 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/2
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (0 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (5 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/4
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (7 ms)
-10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (18 ms total)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (11 ms)
+10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (19 ms total)
 10: 
 10: [----------] Global test environment tear-down
-10: [==========] 14 tests from 4 test cases ran. (37 ms total)
+10: [==========] 14 tests from 4 test cases ran. (34 ms total)
 10: [  PASSED  ] 14 tests.
-10/54 Test #10: FFTUnitTests ........................   Passed    0.05 sec
+10/54 Test #10: FFTUnitTests ........................   Passed    0.06 sec
 test 11
       Start 11: GpuUtilsUnitTests
 
@@ -57075,10 +57008,10 @@
 11: [ RUN      ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks
 11: [       OK ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms)
 11: [ RUN      ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork
-11: [       OK ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork (1 ms)
+11: [       OK ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork (0 ms)
 11: [ RUN      ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve
 11: [       OK ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve (0 ms)
-11: [----------] 3 tests from HostAllocatorTestCopyable/2 (1 ms total)
+11: [----------] 3 tests from HostAllocatorTestCopyable/2 (0 ms total)
 11: 
 11: [----------] 5 tests from HostAllocatorTestNoMem/0, where TypeParam = int
 11: [ RUN      ] HostAllocatorTestNoMem/0.CreateVector
@@ -57184,12 +57117,12 @@
 11: [ RUN      ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment
 11: [       OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms)
 11: [ RUN      ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment
-11: [       OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (1 ms)
+11: [       OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms)
 11: [ RUN      ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment
 11: [       OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms)
 11: [ RUN      ] AllocatorTest/2.Move
 11: [       OK ] AllocatorTest/2.Move (0 ms)
-11: [----------] 4 tests from AllocatorTest/2 (1 ms total)
+11: [----------] 4 tests from AllocatorTest/2 (0 ms total)
 11: 
 11: [----------] 4 tests from AllocatorTest/3, where TypeParam = gmx::Allocator<gmx::test::MoveOnly, gmx::HostAllocationPolicy>
 11: [ RUN      ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment
@@ -57203,7 +57136,7 @@
 11: [----------] 4 tests from AllocatorTest/3 (0 ms total)
 11: 
 11: [----------] Global test environment tear-down
-11: [==========] 62 tests from 20 test cases ran. (2 ms total)
+11: [==========] 62 tests from 20 test cases ran. (0 ms total)
 11: [  PASSED  ] 62 tests.
 11/54 Test #11: GpuUtilsUnitTests ...................   Passed    0.04 sec
 test 12
@@ -57215,19 +57148,19 @@
 12: [----------] Global test environment set-up.
 12: [----------] 4 tests from HardwareTopologyTest
 12: [ RUN      ] HardwareTopologyTest.Execute
-12: [       OK ] HardwareTopologyTest.Execute (14 ms)
+12: [       OK ] HardwareTopologyTest.Execute (15 ms)
 12: [ RUN      ] HardwareTopologyTest.HwlocExecute
-12: [       OK ] HardwareTopologyTest.HwlocExecute (13 ms)
+12: [       OK ] HardwareTopologyTest.HwlocExecute (15 ms)
 12: [ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
-12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (13 ms)
+12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (15 ms)
 12: [ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
-12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (10 ms)
-12: [----------] 4 tests from HardwareTopologyTest (50 ms total)
+12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (14 ms)
+12: [----------] 4 tests from HardwareTopologyTest (59 ms total)
 12: 
 12: [----------] Global test environment tear-down
-12: [==========] 4 tests from 1 test case ran. (50 ms total)
+12: [==========] 4 tests from 1 test case ran. (63 ms total)
 12: [  PASSED  ] 4 tests.
-12/54 Test #12: HardwareUnitTests ...................   Passed    0.07 sec
+12/54 Test #12: HardwareUnitTests ...................   Passed    0.09 sec
 test 13
       Start 13: MathUnitTests
 
@@ -57280,9 +57213,9 @@
 13: [ RUN      ] TranslateAndScaleTest.scalingNonTrivial
 13: [       OK ] TranslateAndScaleTest.scalingNonTrivial (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingInverseNoZero
-13: [       OK ] TranslateAndScaleTest.scalingInverseNoZero (1 ms)
+13: [       OK ] TranslateAndScaleTest.scalingInverseNoZero (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero
-13: [       OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms)
+13: [       OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (1 ms)
 13: [----------] 8 tests from TranslateAndScaleTest (1 ms total)
 13: 
 13: [----------] 12 tests from DensitySimilarityTest
@@ -57303,14 +57236,14 @@
 13: [ RUN      ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsOne
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (33 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (28 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (24 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (32 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (18 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (23 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (0 ms)
-13: [----------] 12 tests from DensitySimilarityTest (75 ms total)
+13: [----------] 12 tests from DensitySimilarityTest (84 ms total)
 13: 
 13: [----------] 6 tests from StructureSimilarityTest
 13: [ RUN      ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD
@@ -57368,7 +57301,7 @@
 13: [ RUN      ] FunctionTest.InvcbrtInteger
 13: [       OK ] FunctionTest.InvcbrtInteger (0 ms)
 13: [ RUN      ] FunctionTest.SixthrootFloat
-13: [       OK ] FunctionTest.SixthrootFloat (1 ms)
+13: [       OK ] FunctionTest.SixthrootFloat (0 ms)
 13: [ RUN      ] FunctionTest.SixthrootDouble
 13: [       OK ] FunctionTest.SixthrootDouble (0 ms)
 13: [ RUN      ] FunctionTest.SixthrootInteger
@@ -57384,7 +57317,7 @@
 13: [ RUN      ] FunctionTest.ErfInvFloat
 13: [       OK ] FunctionTest.ErfInvFloat (0 ms)
 13: [ RUN      ] FunctionTest.ErfInvDouble
-13: [       OK ] FunctionTest.ErfInvDouble (0 ms)
+13: [       OK ] FunctionTest.ErfInvDouble (1 ms)
 13: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesFloat
 13: [       OK ] FunctionTest.ErfAndErfInvAreInversesFloat (0 ms)
 13: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesDouble
@@ -57477,7 +57410,7 @@
 13: [       OK ] MatrixTest.canCreateFromLegacyMatrix (0 ms)
 13: [ RUN      ] MatrixTest.canFillLegacyMatrix
 13: [       OK ] MatrixTest.canFillLegacyMatrix (0 ms)
-13: [----------] 15 tests from MatrixTest (1 ms total)
+13: [----------] 15 tests from MatrixTest (0 ms total)
 13: 
 13: [----------] 25 tests from MultiDimArrayTest
 13: [ RUN      ] MultiDimArrayTest.canConstructAndFillStatic
@@ -57651,7 +57584,7 @@
 13: [       OK ] PaddedVectorTest/9.CanMoveAssign (0 ms)
 13: [ RUN      ] PaddedVectorTest/9.CanSwap
 13: [       OK ] PaddedVectorTest/9.CanSwap (0 ms)
-13: [----------] 4 tests from PaddedVectorTest/9 (0 ms total)
+13: [----------] 4 tests from PaddedVectorTest/9 (1 ms total)
 13: 
 13: [----------] 37 tests from RVecTest
 13: [ RUN      ] RVecTest.CanBeStoredInVector
@@ -57731,7 +57664,7 @@
 13: [----------] 37 tests from RVecTest (0 ms total)
 13: 
 13: [----------] Global test environment tear-down
-13: [==========] 204 tests from 29 test cases ran. (78 ms total)
+13: [==========] 204 tests from 29 test cases ran. (87 ms total)
 13: [  PASSED  ] 204 tests.
 13/54 Test #13: MathUnitTests .......................   Passed    0.13 sec
 test 14
@@ -57749,7 +57682,7 @@
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads
 14: [       OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads
-14: [       OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads (1 ms)
+14: [       OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads
 14: [       OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithUnknownHardware
@@ -57757,11 +57690,11 @@
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooManyThreads
 14: [       OK ] ThreadAffinityTest.DoesNothingWithTooManyThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooLargeOffset
-14: [       OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (0 ms)
+14: [       OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (1 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooLargeStride
 14: [       OK ] ThreadAffinityTest.DoesNothingWithTooLargeStride (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWithAuto
-14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (1 ms)
+14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWhenForced
 14: [       OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced
@@ -57770,20 +57703,20 @@
 14: NOTE: Affinity setting failed.
 14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithAuto
-14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (1 ms)
+14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (15 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced
-14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms)
+14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (8 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads
-14: [       OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (1 ms)
+14: [       OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (8 ms)
 14: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing
 14: NOTE: Affinity setting for 1/2 threads failed.
-14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms)
-14: [----------] 17 tests from ThreadAffinityTest (4 ms total)
+14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (4 ms)
+14: [----------] 17 tests from ThreadAffinityTest (36 ms total)
 14: 
 14: [----------] Global test environment tear-down
-14: [==========] 17 tests from 1 test case ran. (4 ms total)
+14: [==========] 17 tests from 1 test case ran. (36 ms total)
 14: [  PASSED  ] 17 tests.
-14/54 Test #14: MdrunUtilityUnitTests ...............   Passed    0.02 sec
+14/54 Test #14: MdrunUtilityUnitTests ...............   Passed    0.07 sec
 test 15
       Start 15: MdrunUtilityMpiUnitTests
 
@@ -57793,40 +57726,40 @@
 15: [----------] Global test environment set-up.
 15: [----------] 6 tests from ThreadAffinityMultiRankTest
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsWholeNode
-15: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (4 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (80 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride
-15: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (13 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (148 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsTwoNodes
-15: [       OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (2 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (64 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled
-15: [       OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (24 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (56 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto
-15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (32 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (96 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce
-15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (34 ms)
-15: [----------] 6 tests from ThreadAffinityMultiRankTest (109 ms total)
+15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (80 ms)
+15: [----------] 6 tests from ThreadAffinityMultiRankTest (524 ms total)
 15: 
 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (10 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (88 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (12 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (80 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (9 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (100 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (3 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (92 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (41 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (68 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (42 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (116 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (2 ms)
-15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (120 ms total)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (84 ms)
+15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (628 ms total)
 15: 
 15: [----------] Global test environment tear-down
-15: [==========] 13 tests from 2 test cases ran. (230 ms total)
+15: [==========] 13 tests from 2 test cases ran. (1152 ms total)
 15: [  PASSED  ] 13 tests.
-15/54 Test #15: MdrunUtilityMpiUnitTests ............   Passed    0.25 sec
+15/54 Test #15: MdrunUtilityMpiUnitTests ............   Passed    1.18 sec
 test 16
       Start 16: MDSpanTests
 
@@ -57849,12 +57782,12 @@
 16: [ RUN      ] ExtentsTest.Construction
 16: [       OK ] ExtentsTest.Construction (0 ms)
 16: [ RUN      ] ExtentsTest.PurelyStatic
-16: [       OK ] ExtentsTest.PurelyStatic (0 ms)
+16: [       OK ] ExtentsTest.PurelyStatic (1 ms)
 16: [ RUN      ] ExtentsTest.RankNought
 16: [       OK ] ExtentsTest.RankNought (0 ms)
 16: [ RUN      ] ExtentsTest.Assignment
 16: [       OK ] ExtentsTest.Assignment (0 ms)
-16: [----------] 4 tests from ExtentsTest (0 ms total)
+16: [----------] 4 tests from ExtentsTest (1 ms total)
 16: 
 16: [----------] 8 tests from MdSpanExtension
 16: [ RUN      ] MdSpanExtension.SlicingAllStatic
@@ -57917,12 +57850,12 @@
 16: [       OK ] MdSpanTest/1.Properties (0 ms)
 16: [ RUN      ] MdSpanTest/1.Operator
 16: [       OK ] MdSpanTest/1.Operator (0 ms)
-16: [----------] 6 tests from MdSpanTest/1 (1 ms total)
+16: [----------] 6 tests from MdSpanTest/1 (0 ms total)
 16: 
 16: [----------] Global test environment tear-down
 16: [==========] 32 tests from 7 test cases ran. (1 ms total)
 16: [  PASSED  ] 32 tests.
-16/54 Test #16: MDSpanTests .........................   Passed    0.02 sec
+16/54 Test #16: MDSpanTests .........................   Passed    0.04 sec
 test 17
       Start 17: OnlineHelpUnitTests
 
@@ -57932,18 +57865,18 @@
 17: [----------] Global test environment set-up.
 17: [----------] 6 tests from TextTableFormatterTest
 17: [ RUN      ] TextTableFormatterTest.HandlesBasicCase
-17: [       OK ] TextTableFormatterTest.HandlesBasicCase (0 ms)
+17: [       OK ] TextTableFormatterTest.HandlesBasicCase (8 ms)
 17: [ RUN      ] TextTableFormatterTest.HandlesEmptyColumnTitles
 17: [       OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (0 ms)
 17: [ RUN      ] TextTableFormatterTest.HandlesIndentation
-17: [       OK ] TextTableFormatterTest.HandlesIndentation (1 ms)
+17: [       OK ] TextTableFormatterTest.HandlesIndentation (0 ms)
 17: [ RUN      ] TextTableFormatterTest.HandlesOverflowingLines
 17: [       OK ] TextTableFormatterTest.HandlesOverflowingLines (0 ms)
 17: [ RUN      ] TextTableFormatterTest.HandlesLastColumnFolding
 17: [       OK ] TextTableFormatterTest.HandlesLastColumnFolding (0 ms)
 17: [ RUN      ] TextTableFormatterTest.HandlesEmptyColumns
 17: [       OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms)
-17: [----------] 6 tests from TextTableFormatterTest (1 ms total)
+17: [----------] 6 tests from TextTableFormatterTest (8 ms total)
 17: 
 17: [----------] 3 tests from HelpManagerTest
 17: [ RUN      ] HelpManagerTest.HandlesRootTopic
@@ -57952,7 +57885,7 @@
 17: [       OK ] HelpManagerTest.HandlesSubTopics (0 ms)
 17: [ RUN      ] HelpManagerTest.HandlesInvalidTopics
 17: [       OK ] HelpManagerTest.HandlesInvalidTopics (0 ms)
-17: [----------] 3 tests from HelpManagerTest (0 ms total)
+17: [----------] 3 tests from HelpManagerTest (1 ms total)
 17: 
 17: [----------] 2 tests from HelpTopicFormattingTest
 17: [ RUN      ] HelpTopicFormattingTest.FormatsSimpleTopic
@@ -57963,7 +57896,7 @@
 17: 
 17: [----------] 11 tests from HelpWriterContextTest
 17: [ RUN      ] HelpWriterContextTest.FormatsParagraphs
-17: [       OK ] HelpWriterContextTest.FormatsParagraphs (1 ms)
+17: [       OK ] HelpWriterContextTest.FormatsParagraphs (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsRstStyleParagraphs
 17: [       OK ] HelpWriterContextTest.FormatsRstStyleParagraphs (0 ms)
 17: [ RUN      ] HelpWriterContextTest.CleansUpExtraWhitespace
@@ -57984,12 +57917,12 @@
 17: [       OK ] HelpWriterContextTest.FormatsGridTable (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsTitles
 17: [       OK ] HelpWriterContextTest.FormatsTitles (0 ms)
-17: [----------] 11 tests from HelpWriterContextTest (1 ms total)
+17: [----------] 11 tests from HelpWriterContextTest (0 ms total)
 17: 
 17: [----------] Global test environment tear-down
-17: [==========] 22 tests from 4 test cases ran. (2 ms total)
+17: [==========] 22 tests from 4 test cases ran. (9 ms total)
 17: [  PASSED  ] 22 tests.
-17/54 Test #17: OnlineHelpUnitTests .................   Passed    0.02 sec
+17/54 Test #17: OnlineHelpUnitTests .................   Passed    0.04 sec
 test 18
       Start 18: OptionsUnitTests
 
@@ -58007,8 +57940,8 @@
 18: [ RUN      ] AbstractOptionStorageTest.HandlesTooManyValueAddition
 18: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.AllowsEmptyValues
-18: [       OK ] AbstractOptionStorageTest.AllowsEmptyValues (1 ms)
-18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total)
+18: [       OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms)
+18: [----------] 5 tests from AbstractOptionStorageTest (0 ms total)
 18: 
 18: [----------] 8 tests from FileNameOptionTest
 18: [ RUN      ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension
@@ -58039,11 +57972,11 @@
 18: [ RUN      ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile
 18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile
-18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (0 ms)
+18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (1 ms)
 18: [ RUN      ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile
 18: [       OK ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified
-18: [       OK ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified (1 ms)
+18: [       OK ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified
 18: [       OK ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified
@@ -58103,7 +58036,7 @@
 18: [ RUN      ] OptionsAssignerIntegerTest.StoresSingleValue
 18: [       OK ] OptionsAssignerIntegerTest.StoresSingleValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesEmptyValue
-18: [       OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (1 ms)
+18: [       OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesInvalidValue
 18: [       OK ] OptionsAssignerIntegerTest.HandlesInvalidValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesOverflow
@@ -58126,7 +58059,7 @@
 18: [       OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment
 18: [       OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (0 ms)
-18: [----------] 13 tests from OptionsAssignerIntegerTest (1 ms total)
+18: [----------] 13 tests from OptionsAssignerIntegerTest (0 ms total)
 18: 
 18: [----------] 5 tests from OptionsAssignerDoubleTest
 18: [ RUN      ] OptionsAssignerDoubleTest.StoresSingleValue
@@ -58187,14 +58120,14 @@
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesDefaultValue
 18: [       OK ] RepeatingOptionSectionTest.HandlesDefaultValue (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesTwoInstances
-18: [       OK ] RepeatingOptionSectionTest.HandlesTwoInstances (1 ms)
+18: [       OK ] RepeatingOptionSectionTest.HandlesTwoInstances (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault
 18: [       OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault
 18: [       OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesNestedSections
 18: [       OK ] RepeatingOptionSectionTest.HandlesNestedSections (0 ms)
-18: [----------] 8 tests from RepeatingOptionSectionTest (1 ms total)
+18: [----------] 8 tests from RepeatingOptionSectionTest (0 ms total)
 18: 
 18: [----------] 1 test from TimeUnitManagerTest
 18: [ RUN      ] TimeUnitManagerTest.BasicOperations
@@ -58216,8 +58149,8 @@
 18: [ RUN      ] TreeValueSupportAssignTest.AssignsFromTree
 18: [       OK ] TreeValueSupportAssignTest.AssignsFromTree (0 ms)
 18: [ RUN      ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays
-18: [       OK ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays (0 ms)
-18: [----------] 2 tests from TreeValueSupportAssignTest (0 ms total)
+18: [       OK ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays (1 ms)
+18: [----------] 2 tests from TreeValueSupportAssignTest (1 ms total)
 18: 
 18: [----------] 1 test from TreeValueSupportAssignErrorTest
 18: [ RUN      ] TreeValueSupportAssignErrorTest.HandlesInvalidValue
@@ -58241,7 +58174,7 @@
 18: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultValues
 18: [       OK ] TreeValueSupportAdjustTest.FillsDefaultValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultVectorValues
-18: [       OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (1 ms)
+18: [       OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultObjectValues
 18: [       OK ] TreeValueSupportAdjustTest.FillsDefaultObjectValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.NormalizesValues
@@ -58250,7 +58183,7 @@
 18: [       OK ] TreeValueSupportAdjustTest.MergesDefaultValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.OrdersValues
 18: [       OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms)
-18: [----------] 6 tests from TreeValueSupportAdjustTest (1 ms total)
+18: [----------] 6 tests from TreeValueSupportAdjustTest (0 ms total)
 18: 
 18: [----------] 8 tests from TreeValueSupportTest
 18: [ RUN      ] TreeValueSupportTest.SupportsBooleanOption
@@ -58262,19 +58195,19 @@
 18: [ RUN      ] TreeValueSupportTest.SupportsStringOption
 18: [       OK ] TreeValueSupportTest.SupportsStringOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsFloatOption
-18: [       OK ] TreeValueSupportTest.SupportsFloatOption (1 ms)
+18: [       OK ] TreeValueSupportTest.SupportsFloatOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsDoubleOption
 18: [       OK ] TreeValueSupportTest.SupportsDoubleOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsEnumIntOption
 18: [       OK ] TreeValueSupportTest.SupportsEnumIntOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsEnumOption
 18: [       OK ] TreeValueSupportTest.SupportsEnumOption (0 ms)
-18: [----------] 8 tests from TreeValueSupportTest (1 ms total)
+18: [----------] 8 tests from TreeValueSupportTest (0 ms total)
 18: 
 18: [----------] Global test environment tear-down
-18: [==========] 110 tests from 18 test cases ran. (6 ms total)
+18: [==========] 110 tests from 18 test cases ran. (2 ms total)
 18: [  PASSED  ] 110 tests.
-18/54 Test #18: OptionsUnitTests ....................   Passed    0.03 sec
+18/54 Test #18: OptionsUnitTests ....................   Passed    0.05 sec
 test 19
       Start 19: PbcutilUnitTest
 
@@ -58284,8 +58217,8 @@
 19: [----------] Global test environment set-up.
 19: [----------] 1 test from PbcTest
 19: [ RUN      ] PbcTest.CalcShiftsWorks
-19: [       OK ] PbcTest.CalcShiftsWorks (1 ms)
-19: [----------] 1 test from PbcTest (1 ms total)
+19: [       OK ] PbcTest.CalcShiftsWorks (0 ms)
+19: [----------] 1 test from PbcTest (0 ms total)
 19: 
 19: [----------] 2 tests from PbcEnumsTest
 19: [ RUN      ] PbcEnumsTest.CenteringTypeNamesAreCorrect
@@ -58295,9 +58228,9 @@
 19: [----------] 2 tests from PbcEnumsTest (0 ms total)
 19: 
 19: [----------] Global test environment tear-down
-19: [==========] 3 tests from 2 test cases ran. (1 ms total)
+19: [==========] 3 tests from 2 test cases ran. (0 ms total)
 19: [  PASSED  ] 3 tests.
-19/54 Test #19: PbcutilUnitTest .....................   Passed    0.01 sec
+19/54 Test #19: PbcutilUnitTest .....................   Passed    0.03 sec
 test 20
       Start 20: RandomUnitTests
 
@@ -58314,7 +58247,7 @@
 20: [       OK ] ExponentialDistributionTest.Reset (0 ms)
 20: [ RUN      ] ExponentialDistributionTest.AltParam
 20: [       OK ] ExponentialDistributionTest.AltParam (0 ms)
-20: [----------] 4 tests from ExponentialDistributionTest (0 ms total)
+20: [----------] 4 tests from ExponentialDistributionTest (1 ms total)
 20: 
 20: [----------] 4 tests from GammaDistributionTest
 20: [ RUN      ] GammaDistributionTest.Output
@@ -58356,12 +58289,12 @@
 20: [       OK ] TabulatedNormalDistributionTest.Reset (0 ms)
 20: [ RUN      ] TabulatedNormalDistributionTest.AltParam
 20: [       OK ] TabulatedNormalDistributionTest.AltParam (0 ms)
-20: [----------] 6 tests from TabulatedNormalDistributionTest (1 ms total)
+20: [----------] 6 tests from TabulatedNormalDistributionTest (0 ms total)
 20: 
 20: [----------] 1 test from TabulatedNormalDistributionTableTest
 20: [ RUN      ] TabulatedNormalDistributionTableTest.HasValidProperties
-20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (1 ms)
-20: [----------] 1 test from TabulatedNormalDistributionTableTest (1 ms total)
+20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (0 ms)
+20: [----------] 1 test from TabulatedNormalDistributionTableTest (0 ms total)
 20: 
 20: [----------] 6 tests from ThreeFry2x64Test
 20: [ RUN      ] ThreeFry2x64Test.Logical
@@ -58373,7 +58306,7 @@
 20: [ RUN      ] ThreeFry2x64Test.Discard
 20: [       OK ] ThreeFry2x64Test.Discard (0 ms)
 20: [ RUN      ] ThreeFry2x64Test.InvalidCounter
-20: [       OK ] ThreeFry2x64Test.InvalidCounter (0 ms)
+20: [       OK ] ThreeFry2x64Test.InvalidCounter (1 ms)
 20: [ RUN      ] ThreeFry2x64Test.ExhaustInternalCounter
 20: [       OK ] ThreeFry2x64Test.ExhaustInternalCounter (0 ms)
 20: [----------] 6 tests from ThreeFry2x64Test (1 ms total)
@@ -58412,7 +58345,7 @@
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Fast/0
 20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 (0 ms)
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Fast/1
-20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 (1 ms)
+20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 (0 ms)
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Fast/2
 20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 (0 ms)
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0
@@ -58421,12 +58354,12 @@
 20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (0 ms)
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2
 20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (0 ms)
-20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (1 ms total)
+20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (0 ms total)
 20: 
 20: [----------] Global test environment tear-down
-20: [==========] 44 tests from 10 test cases ran. (4 ms total)
+20: [==========] 44 tests from 10 test cases ran. (2 ms total)
 20: [  PASSED  ] 44 tests.
-20/54 Test #20: RandomUnitTests .....................   Passed    0.03 sec
+20/54 Test #20: RandomUnitTests .....................   Passed    0.04 sec
 test 21
       Start 21: RestraintTests
 
@@ -58442,7 +58375,7 @@
 21: [----------] Global test environment tear-down
 21: [==========] 1 test from 1 test case ran. (0 ms total)
 21: [  PASSED  ] 1 test.
-21/54 Test #21: RestraintTests ......................   Passed    0.02 sec
+21/54 Test #21: RestraintTests ......................   Passed    0.03 sec
 test 22
       Start 22: TableUnitTests
 
@@ -58454,52 +58387,52 @@
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectInput
 22: [       OK ] SplineTableTest/0.HandlesIncorrectInput (1 ms)
 22: [ RUN      ] SplineTableTest/0.Sinc
-22: [       OK ] SplineTableTest/0.Sinc (1 ms)
+22: [       OK ] SplineTableTest/0.Sinc (0 ms)
 22: [ RUN      ] SplineTableTest/0.LJ12
-22: [       OK ] SplineTableTest/0.LJ12 (15 ms)
+22: [       OK ] SplineTableTest/0.LJ12 (11 ms)
 22: [ RUN      ] SplineTableTest/0.PmeCorrection
-22: [       OK ] SplineTableTest/0.PmeCorrection (1 ms)
+22: [       OK ] SplineTableTest/0.PmeCorrection (0 ms)
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectNumericalInput
-22: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (1 ms)
+22: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (4 ms)
 22: [ RUN      ] SplineTableTest/0.NumericalInputPmeCorr
-22: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (0 ms)
+22: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (1 ms)
 22: [ RUN      ] SplineTableTest/0.TwoFunctions
-22: [       OK ] SplineTableTest/0.TwoFunctions (22 ms)
+22: [       OK ] SplineTableTest/0.TwoFunctions (18 ms)
 22: [ RUN      ] SplineTableTest/0.ThreeFunctions
-22: [       OK ] SplineTableTest/0.ThreeFunctions (18 ms)
+22: [       OK ] SplineTableTest/0.ThreeFunctions (27 ms)
 22: [ RUN      ] SplineTableTest/0.Simd
-22: [       OK ] SplineTableTest/0.Simd (3 ms)
+22: [       OK ] SplineTableTest/0.Simd (10 ms)
 22: [ RUN      ] SplineTableTest/0.SimdTwoFunctions
-22: [       OK ] SplineTableTest/0.SimdTwoFunctions (13 ms)
-22: [----------] 10 tests from SplineTableTest/0 (75 ms total)
+22: [       OK ] SplineTableTest/0.SimdTwoFunctions (22 ms)
+22: [----------] 10 tests from SplineTableTest/0 (94 ms total)
 22: 
 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectInput
 22: [       OK ] SplineTableTest/1.HandlesIncorrectInput (1 ms)
 22: [ RUN      ] SplineTableTest/1.Sinc
-22: [       OK ] SplineTableTest/1.Sinc (1 ms)
+22: [       OK ] SplineTableTest/1.Sinc (0 ms)
 22: [ RUN      ] SplineTableTest/1.LJ12
-22: [       OK ] SplineTableTest/1.LJ12 (15 ms)
+22: [       OK ] SplineTableTest/1.LJ12 (25 ms)
 22: [ RUN      ] SplineTableTest/1.PmeCorrection
-22: [       OK ] SplineTableTest/1.PmeCorrection (1 ms)
+22: [       OK ] SplineTableTest/1.PmeCorrection (8 ms)
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectNumericalInput
-22: [       OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (0 ms)
+22: [       OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (1 ms)
 22: [ RUN      ] SplineTableTest/1.NumericalInputPmeCorr
 22: [       OK ] SplineTableTest/1.NumericalInputPmeCorr (0 ms)
 22: [ RUN      ] SplineTableTest/1.TwoFunctions
-22: [       OK ] SplineTableTest/1.TwoFunctions (27 ms)
+22: [       OK ] SplineTableTest/1.TwoFunctions (53 ms)
 22: [ RUN      ] SplineTableTest/1.ThreeFunctions
-22: [       OK ] SplineTableTest/1.ThreeFunctions (29 ms)
+22: [       OK ] SplineTableTest/1.ThreeFunctions (65 ms)
 22: [ RUN      ] SplineTableTest/1.Simd
-22: [       OK ] SplineTableTest/1.Simd (5 ms)
+22: [       OK ] SplineTableTest/1.Simd (9 ms)
 22: [ RUN      ] SplineTableTest/1.SimdTwoFunctions
-22: [       OK ] SplineTableTest/1.SimdTwoFunctions (22 ms)
-22: [----------] 10 tests from SplineTableTest/1 (102 ms total)
+22: [       OK ] SplineTableTest/1.SimdTwoFunctions (51 ms)
+22: [----------] 10 tests from SplineTableTest/1 (213 ms total)
 22: 
 22: [----------] Global test environment tear-down
-22: [==========] 20 tests from 2 test cases ran. (177 ms total)
+22: [==========] 20 tests from 2 test cases ran. (307 ms total)
 22: [  PASSED  ] 20 tests.
-22/54 Test #22: TableUnitTests ......................   Passed    0.20 sec
+22/54 Test #22: TableUnitTests ......................   Passed    0.35 sec
 test 23
       Start 23: TaskAssignmentUnitTests
 
@@ -58509,10 +58442,10 @@
 23: [----------] Global test environment set-up.
 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest
 23: [ RUN      ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork
-23: [       OK ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork (0 ms)
+23: [       OK ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork (8 ms)
 23: [ RUN      ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid
 23: [       OK ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid (0 ms)
-23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest (0 ms total)
+23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest (8 ms total)
 23: 
 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest
 23: [ RUN      ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow
@@ -58520,9 +58453,9 @@
 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (1 ms total)
 23: 
 23: [----------] Global test environment tear-down
-23: [==========] 3 tests from 2 test cases ran. (1 ms total)
+23: [==========] 3 tests from 2 test cases ran. (9 ms total)
 23: [  PASSED  ] 3 tests.
-23/54 Test #23: TaskAssignmentUnitTests .............   Passed    0.02 sec
+23/54 Test #23: TaskAssignmentUnitTests .............   Passed    0.03 sec
 test 24
       Start 24: TopologyTest
 
@@ -58562,9 +58495,9 @@
 24: [----------] 6 tests from SymtabTest (0 ms total)
 24: 
 24: [----------] Global test environment tear-down
-24: [==========] 11 tests from 3 test cases ran. (0 ms total)
+24: [==========] 11 tests from 3 test cases ran. (8 ms total)
 24: [  PASSED  ] 11 tests.
-24/54 Test #24: TopologyTest ........................   Passed    0.01 sec
+24/54 Test #24: TopologyTest ........................   Passed    0.03 sec
 test 25
       Start 25: PullTest
 
@@ -58583,12 +58516,12 @@
 25: [       OK ] PullTest.MaxPullDistanceXyzLongBox (0 ms)
 25: [ RUN      ] PullTest.MaxPullDistanceXySkewedBox
 25: [       OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms)
-25: [----------] 5 tests from PullTest (0 ms total)
+25: [----------] 5 tests from PullTest (4 ms total)
 25: 
 25: [----------] Global test environment tear-down
-25: [==========] 5 tests from 1 test case ran. (1 ms total)
+25: [==========] 5 tests from 1 test case ran. (4 ms total)
 25: [  PASSED  ] 5 tests.
-25/54 Test #25: PullTest ............................   Passed    0.02 sec
+25/54 Test #25: PullTest ............................   Passed    0.03 sec
 test 26
       Start 26: AwhTest
 
@@ -58603,8 +58536,8 @@
 26: 
 26: [----------] 1 test from gridTest
 26: [ RUN      ] gridTest.neighborhood
-26: [       OK ] gridTest.neighborhood (2 ms)
-26: [----------] 1 test from gridTest (2 ms total)
+26: [       OK ] gridTest.neighborhood (0 ms)
+26: [----------] 1 test from gridTest (0 ms total)
 26: 
 26: [----------] 8 tests from WithParameters/BiasTest
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/0
@@ -58612,30 +58545,30 @@
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/1
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/2
-26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (1 ms)
+26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/3
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/4
-26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/4 (1 ms)
+26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/4 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/5
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/5 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/6
-26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (0 ms)
+26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (1 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/7
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (0 ms)
-26: [----------] 8 tests from WithParameters/BiasTest (4 ms total)
+26: [----------] 8 tests from WithParameters/BiasTest (2 ms total)
 26: 
 26: [----------] 2 tests from WithParameters/BiasStateTest
 26: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/0
 26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (0 ms)
 26: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/1
-26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (1 ms)
-26: [----------] 2 tests from WithParameters/BiasStateTest (1 ms total)
+26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (0 ms)
+26: [----------] 2 tests from WithParameters/BiasStateTest (0 ms total)
 26: 
 26: [----------] Global test environment tear-down
-26: [==========] 12 tests from 4 test cases ran. (8 ms total)
+26: [==========] 12 tests from 4 test cases ran. (3 ms total)
 26: [  PASSED  ] 12 tests.
-26/54 Test #26: AwhTest .............................   Passed    0.02 sec
+26/54 Test #26: AwhTest .............................   Passed    0.03 sec
 test 27
       Start 27: SimdUnitTests
 
@@ -58777,7 +58710,7 @@
 27: [       OK ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 (0 ms)
 27: [ RUN      ] SimdFloatingpointUtilTest.reduceIncr4Sum
 27: [       OK ] SimdFloatingpointUtilTest.reduceIncr4Sum (0 ms)
-27: [----------] 13 tests from SimdFloatingpointUtilTest (1 ms total)
+27: [----------] 13 tests from SimdFloatingpointUtilTest (0 ms total)
 27: 
 27: [----------] 3 tests from SimdVectorOperationsTest
 27: [ RUN      ] SimdVectorOperationsTest.iprod
@@ -58790,111 +58723,111 @@
 27: 
 27: [----------] 56 tests from SimdMathTest
 27: [ RUN      ] SimdMathTest.generateTestPointsDouble
-27: [       OK ] SimdMathTest.generateTestPointsDouble (0 ms)
+27: [       OK ] SimdMathTest.generateTestPointsDouble (1 ms)
 27: [ RUN      ] SimdMathTest.copysign
 27: [       OK ] SimdMathTest.copysign (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrt
-27: [       OK ] SimdMathTest.invsqrt (1 ms)
+27: [       OK ] SimdMathTest.invsqrt (0 ms)
 27: [ RUN      ] SimdMathTest.maskzInvsqrt
 27: [       OK ] SimdMathTest.maskzInvsqrt (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtPair
-27: [       OK ] SimdMathTest.invsqrtPair (2 ms)
+27: [       OK ] SimdMathTest.invsqrtPair (0 ms)
 27: [ RUN      ] SimdMathTest.sqrt
-27: [       OK ] SimdMathTest.sqrt (2 ms)
+27: [       OK ] SimdMathTest.sqrt (1 ms)
 27: [ RUN      ] SimdMathTest.sqrtUnsafe
 27: [       OK ] SimdMathTest.sqrtUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.inv
-27: [       OK ] SimdMathTest.inv (3 ms)
+27: [       OK ] SimdMathTest.inv (9 ms)
 27: [ RUN      ] SimdMathTest.maskzInv
 27: [       OK ] SimdMathTest.maskzInv (0 ms)
 27: [ RUN      ] SimdMathTest.cbrt
 27: [       OK ] SimdMathTest.cbrt (1 ms)
 27: [ RUN      ] SimdMathTest.invcbrt
-27: [       OK ] SimdMathTest.invcbrt (3 ms)
+27: [       OK ] SimdMathTest.invcbrt (1 ms)
 27: [ RUN      ] SimdMathTest.log2
-27: [       OK ] SimdMathTest.log2 (1 ms)
+27: [       OK ] SimdMathTest.log2 (0 ms)
 27: [ RUN      ] SimdMathTest.log
-27: [       OK ] SimdMathTest.log (1 ms)
+27: [       OK ] SimdMathTest.log (0 ms)
 27: [ RUN      ] SimdMathTest.exp2
-27: [       OK ] SimdMathTest.exp2 (3 ms)
+27: [       OK ] SimdMathTest.exp2 (1 ms)
 27: [ RUN      ] SimdMathTest.exp2Unsafe
 27: [       OK ] SimdMathTest.exp2Unsafe (1 ms)
 27: [ RUN      ] SimdMathTest.exp
-27: [       OK ] SimdMathTest.exp (3 ms)
+27: [       OK ] SimdMathTest.exp (9 ms)
 27: [ RUN      ] SimdMathTest.expUnsafe
-27: [       OK ] SimdMathTest.expUnsafe (1 ms)
+27: [       OK ] SimdMathTest.expUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.pow
 27: [       OK ] SimdMathTest.pow (0 ms)
 27: [ RUN      ] SimdMathTest.powUnsafe
 27: [       OK ] SimdMathTest.powUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.erf
-27: [       OK ] SimdMathTest.erf (1 ms)
+27: [       OK ] SimdMathTest.erf (0 ms)
 27: [ RUN      ] SimdMathTest.erfc
 27: [       OK ] SimdMathTest.erfc (1 ms)
 27: [ RUN      ] SimdMathTest.sin
-27: [       OK ] SimdMathTest.sin (2 ms)
+27: [       OK ] SimdMathTest.sin (0 ms)
 27: [ RUN      ] SimdMathTest.cos
-27: [       OK ] SimdMathTest.cos (2 ms)
+27: [       OK ] SimdMathTest.cos (1 ms)
 27: [ RUN      ] SimdMathTest.tan
-27: [       OK ] SimdMathTest.tan (3 ms)
+27: [       OK ] SimdMathTest.tan (1 ms)
 27: [ RUN      ] SimdMathTest.asin
-27: [       OK ] SimdMathTest.asin (1 ms)
+27: [       OK ] SimdMathTest.asin (0 ms)
 27: [ RUN      ] SimdMathTest.acos
 27: [       OK ] SimdMathTest.acos (1 ms)
 27: [ RUN      ] SimdMathTest.atan
-27: [       OK ] SimdMathTest.atan (1 ms)
+27: [       OK ] SimdMathTest.atan (0 ms)
 27: [ RUN      ] SimdMathTest.atan2
 27: [       OK ] SimdMathTest.atan2 (0 ms)
 27: [ RUN      ] SimdMathTest.pmeForceCorrection
 27: [       OK ] SimdMathTest.pmeForceCorrection (1 ms)
 27: [ RUN      ] SimdMathTest.pmePotentialCorrection
-27: [       OK ] SimdMathTest.pmePotentialCorrection (1 ms)
+27: [       OK ] SimdMathTest.pmePotentialCorrection (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtSingleAccuracy
-27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtPairSingleAccuracy
 27: [       OK ] SimdMathTest.invsqrtPairSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracy
-27: [       OK ] SimdMathTest.sqrtSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.sqrtSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (1 ms)
+27: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.invSingleAccuracy
-27: [       OK ] SimdMathTest.invSingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.invSingleAccuracy (9 ms)
 27: [ RUN      ] SimdMathTest.cbrtSingleAccuracy
 27: [       OK ] SimdMathTest.cbrtSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.invcbrtSingleAccuracy
-27: [       OK ] SimdMathTest.invcbrtSingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.invcbrtSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.log2SingleAccuracy
-27: [       OK ] SimdMathTest.log2SingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.log2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.logSingleAccuracy
 27: [       OK ] SimdMathTest.logSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracy
-27: [       OK ] SimdMathTest.exp2SingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.exp2SingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (1 ms)
+27: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracy
-27: [       OK ] SimdMathTest.expSingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.expSingleAccuracy (5 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms)
+27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (1 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracy
 27: [       OK ] SimdMathTest.powSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracyUnsafe
 27: [       OK ] SimdMathTest.powSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.erfSingleAccuracy
-27: [       OK ] SimdMathTest.erfSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.erfSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.erfcSingleAccuracy
-27: [       OK ] SimdMathTest.erfcSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.erfcSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.sinSingleAccuracy
 27: [       OK ] SimdMathTest.sinSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.cosSingleAccuracy
-27: [       OK ] SimdMathTest.cosSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.cosSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.tanSingleAccuracy
-27: [       OK ] SimdMathTest.tanSingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.tanSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.asinSingleAccuracy
 27: [       OK ] SimdMathTest.asinSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.acosSingleAccuracy
 27: [       OK ] SimdMathTest.acosSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.atanSingleAccuracy
-27: [       OK ] SimdMathTest.atanSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.atanSingleAccuracy (8 ms)
 27: [ RUN      ] SimdMathTest.atan2SingleAccuracy
 27: [       OK ] SimdMathTest.atan2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.pmeForceCorrectionSingleAccuracy
@@ -59011,7 +58944,7 @@
 27: [       OK ] SimdIntegerTest.cvtB2IB (0 ms)
 27: [ RUN      ] SimdIntegerTest.cvtIB2B
 27: [       OK ] SimdIntegerTest.cvtIB2B (0 ms)
-27: [----------] 23 tests from SimdIntegerTest (1 ms total)
+27: [----------] 23 tests from SimdIntegerTest (0 ms total)
 27: 
 27: [----------] 41 tests from SimdScalarTest
 27: [ RUN      ] SimdScalarTest.load
@@ -59096,7 +59029,7 @@
 27: [       OK ] SimdScalarTest.cvtIB2B (0 ms)
 27: [ RUN      ] SimdScalarTest.expandScalarsToTriplets
 27: [       OK ] SimdScalarTest.expandScalarsToTriplets (0 ms)
-27: [----------] 41 tests from SimdScalarTest (0 ms total)
+27: [----------] 41 tests from SimdScalarTest (1 ms total)
 27: 
 27: [----------] 8 tests from SimdScalarUtilTest
 27: [ RUN      ] SimdScalarUtilTest.gatherLoadTranspose
@@ -59195,9 +59128,9 @@
 27: [----------] 37 tests from SimdScalarMathTest (0 ms total)
 27: 
 27: [----------] Global test environment tear-down
-27: [==========] 247 tests from 19 test cases ran. (62 ms total)
+27: [==========] 247 tests from 19 test cases ran. (61 ms total)
 27: [  PASSED  ] 247 tests.
-27/54 Test #27: SimdUnitTests .......................   Passed    0.11 sec
+27/54 Test #27: SimdUnitTests .......................   Passed    0.09 sec
 test 28
       Start 28: CompatibilityHelpersTests
 
@@ -59336,12 +59269,12 @@
 28: [ RUN      ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged
 28: [       OK ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged (0 ms)
 28: [ RUN      ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged
-28: [       OK ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged (1 ms)
+28: [       OK ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged (0 ms)
 28: [ RUN      ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged
 28: [       OK ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged (0 ms)
 28: [ RUN      ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged
 28: [       OK ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged (0 ms)
-28: [----------] 4 tests from OptionalMemberSwapTest (1 ms total)
+28: [----------] 4 tests from OptionalMemberSwapTest (0 ms total)
 28: 
 28: [----------] 4 tests from OptionalImplicitValueTest
 28: [ RUN      ] OptionalImplicitValueTest.CanObtainValueConst
@@ -59474,11 +59407,11 @@
 28: [ RUN      ] StringViewTest.ThrowsOnOutOfBoundsCopy
 28: [       OK ] StringViewTest.ThrowsOnOutOfBoundsCopy (0 ms)
 28: [ RUN      ] StringViewTest.CanObtainSubstringWithSubstr
-28: [       OK ] StringViewTest.CanObtainSubstringWithSubstr (0 ms)
+28: [       OK ] StringViewTest.CanObtainSubstringWithSubstr (1 ms)
 28: [ RUN      ] StringViewTest.ThrowsOnOutOfBoundsSubstr
 28: [       OK ] StringViewTest.ThrowsOnOutOfBoundsSubstr (0 ms)
 28: [ RUN      ] StringViewTest.CanLexicallyCompareViewWithCompare
-28: [       OK ] StringViewTest.CanLexicallyCompareViewWithCompare (1 ms)
+28: [       OK ] StringViewTest.CanLexicallyCompareViewWithCompare (0 ms)
 28: [ RUN      ] StringViewTest.CanCompareEmptyViewsWIthCompare
 28: [       OK ] StringViewTest.CanCompareEmptyViewsWIthCompare (0 ms)
 28: [ RUN      ] StringViewTest.CanCompareSubStringWithViewViaCompare
@@ -59599,9 +59532,9 @@
 28: [----------] 5 tests from StringViewExtensionTest (0 ms total)
 28: 
 28: [----------] Global test environment tear-down
-28: [==========] 170 tests from 12 test cases ran. (3 ms total)
+28: [==========] 170 tests from 12 test cases ran. (2 ms total)
 28: [  PASSED  ] 170 tests.
-28/54 Test #28: CompatibilityHelpersTests ...........   Passed    0.06 sec
+28/54 Test #28: CompatibilityHelpersTests ...........   Passed    0.05 sec
 test 29
       Start 29: GmxAnaTest
 
@@ -59611,7 +59544,7 @@
 29: [----------] Global test environment set-up.
 29: [----------] 5 tests from Entropy
 29: [ RUN      ] Entropy.Schlitter_300_NoLinear
-29: [       OK ] Entropy.Schlitter_300_NoLinear (0 ms)
+29: [       OK ] Entropy.Schlitter_300_NoLinear (1 ms)
 29: [ RUN      ] Entropy.Schlitter_300_Linear
 29: [       OK ] Entropy.Schlitter_300_Linear (0 ms)
 29: [ RUN      ] Entropy.QuasiHarmonic_300_NoLinear
@@ -59646,7 +59579,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 2: 'atom3'
 29: Selected 3: 'atoms12'
-29: [       OK ] MindistTest.mindistWorksWithMultipleAtoms (1 ms)
+29: [       OK ] MindistTest.mindistWorksWithMultipleAtoms (0 ms)
 29: [ RUN      ] MindistTest.mindistDoesNotPickUpContacts
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59658,7 +59591,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
-29: [       OK ] MindistTest.mindistDoesNotPickUpContacts (1 ms)
+29: [       OK ] MindistTest.mindistDoesNotPickUpContacts (0 ms)
 29: [ RUN      ] MindistTest.mindistPicksUpContacts
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59670,7 +59603,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
-29: [       OK ] MindistTest.mindistPicksUpContacts (0 ms)
+29: [       OK ] MindistTest.mindistPicksUpContacts (1 ms)
 29: [ RUN      ] MindistTest.ngWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59683,7 +59616,7 @@
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
 29: Selected 2: 'atom3'
-29: [       OK ] MindistTest.ngWorks (1 ms)
+29: [       OK ] MindistTest.ngWorks (0 ms)
 29: [ RUN      ] MindistTest.groupWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59695,7 +59628,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 3: 'atoms12'
 29: Selected 2: 'atom3'
-29: [       OK ] MindistTest.groupWorks (1 ms)
+29: [       OK ] MindistTest.groupWorks (0 ms)
 29: [ RUN      ] MindistTest.maxDistWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59707,7 +59640,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 2: 'atom3'
 29: Selected 3: 'atoms12'
-29: [       OK ] MindistTest.maxDistWorks (1 ms)
+29: [       OK ] MindistTest.maxDistWorks (0 ms)
 29: [ RUN      ] MindistTest.noPbcWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59719,7 +59652,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 0: 'atom1'
 29: Selected 1: 'atom2'
-29: [       OK ] MindistTest.noPbcWorks (0 ms)
+29: [       OK ] MindistTest.noPbcWorks (1 ms)
 29: [ RUN      ] MindistTest.resPerTimeWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59731,7 +59664,7 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 3: 'atoms12'
 29: Selected 2: 'atom3'
-29: [       OK ] MindistTest.resPerTimeWorks (1 ms)
+29: [       OK ] MindistTest.resPerTimeWorks (0 ms)
 29: [ RUN      ] MindistTest.matrixWorks
 29: Group     0 (          atom1) has     1 elements
 29: Group     1 (          atom2) has     1 elements
@@ -59743,8 +59676,8 @@
 29: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 29: Selected 5: 'atoms123'
 29: Special case: making distance matrix between all atoms in group atoms123
-29: [       OK ] MindistTest.matrixWorks (1 ms)
-29: [----------] 10 tests from MindistTest (8 ms total)
+29: [       OK ] MindistTest.matrixWorks (9 ms)
+29: [----------] 10 tests from MindistTest (12 ms total)
 29: 
 29: [----------] 3 tests from MsdTest
 29: [ RUN      ] MsdTest.threeDimensionalDiffusion
@@ -59759,7 +59692,7 @@
 29: Fitting from 1 to 8 ps
 29: 
 29: D[ particles] 4.0000 (+/- 0.0000) 1e-5 cm^2/s
-29: [       OK ] MsdTest.threeDimensionalDiffusion (1 ms)
+29: [       OK ] MsdTest.threeDimensionalDiffusion (0 ms)
 29: [ RUN      ] MsdTest.twoDimensionalDiffusion
 29: 
 29: Select a group to calculate mean squared displacement for:
@@ -59785,8 +59718,8 @@
 29: Fitting from 1 to 8 ps
 29: 
 29: D[ particles] 8.0000 (+/- 0.0000) 1e-5 cm^2/s
-29: [       OK ] MsdTest.oneDimensionalDiffusion (1 ms)
-29: [----------] 3 tests from MsdTest (3 ms total)
+29: [       OK ] MsdTest.oneDimensionalDiffusion (0 ms)
+29: [----------] 3 tests from MsdTest (1 ms total)
 29: 
 29: [----------] 3 tests from MsdMolTest
 29: [ RUN      ] MsdMolTest.diffMolMassWeighted
@@ -59795,7 +59728,7 @@
 29:   For a correct single-point energy evaluation with nsteps = 0, use
 29:   continuation = yes to avoid constraining the input coordinates.
 29: 
-29: Setting the LD random seed to -3186757
+29: Setting the LD random seed to -67207331
 29: Generated 330891 of the 330891 non-bonded parameter combinations
 29: Generating 1-4 interactions: fudge = 0.5
 29: Generated 330891 of the 330891 1-4 parameter combinations
@@ -59832,14 +59765,14 @@
 29: Fitting from 0.008 to 0.088 ps
 29: 
 29: D[     water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s
-29: [       OK ] MsdMolTest.diffMolMassWeighted (289 ms)
+29: [       OK ] MsdMolTest.diffMolMassWeighted (558 ms)
 29: [ RUN      ] MsdMolTest.diffMolNonMassWeighted
 29: 
 29: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]:
 29:   For a correct single-point energy evaluation with nsteps = 0, use
 29:   continuation = yes to avoid constraining the input coordinates.
 29: 
-29: Setting the LD random seed to -4326539
+29: Setting the LD random seed to 969899995
 29: Generated 330891 of the 330891 non-bonded parameter combinations
 29: Generating 1-4 interactions: fudge = 0.5
 29: Generated 330891 of the 330891 1-4 parameter combinations
@@ -59876,14 +59809,14 @@
 29: Fitting from 0.008 to 0.088 ps
 29: 
 29: D[     water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s
-29: [       OK ] MsdMolTest.diffMolNonMassWeighted (229 ms)
+29: [       OK ] MsdMolTest.diffMolNonMassWeighted (474 ms)
 29: [ RUN      ] MsdMolTest.diffMolSelected
 29: 
 29: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]:
 29:   For a correct single-point energy evaluation with nsteps = 0, use
 29:   continuation = yes to avoid constraining the input coordinates.
 29: 
-29: Setting the LD random seed to -2368068
+29: Setting the LD random seed to -1080071826
 29: Generated 330891 of the 330891 non-bonded parameter combinations
 29: Generating 1-4 interactions: fudge = 0.5
 29: Generated 330891 of the 330891 1-4 parameter combinations
@@ -59920,8 +59853,8 @@
 29: Fitting from 0.008 to 0.088 ps
 29: 
 29: D[       mol] 7.8614 (+/- 1.5619) 1e-5 cm^2/s
-29: [       OK ] MsdMolTest.diffMolSelected (230 ms)
-29: [----------] 3 tests from MsdMolTest (748 ms total)
+29: [       OK ] MsdMolTest.diffMolSelected (289 ms)
+29: [----------] 3 tests from MsdMolTest (1321 ms total)
 29: 
 29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0
@@ -59931,14 +59864,14 @@
 29: Select a group: trr version: GMX_trn_file (single precision)
 29: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
-29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (0 ms)
+29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (1 ms)
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1
 29: Group     0 (         System) has     6 elements
 29: Group     1 (          Water) has     6 elements
 29: Group     2 (            SOL) has     6 elements
 29: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
-29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (2 ms)
+29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (6 ms)
 29: [ RUN      ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2
 29: Group     0 (         System) has     6 elements
 29: Group     1 (          Water) has     6 elements
@@ -59969,12 +59902,12 @@
 29: Select a group: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 29: Selected 0: 'System'
 29: [       OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 (1 ms)
-29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj (4 ms total)
+29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj (9 ms total)
 29: 
 29: [----------] Global test environment tear-down
-29: [==========] 27 tests from 5 test cases ran. (764 ms total)
+29: [==========] 27 tests from 5 test cases ran. (1344 ms total)
 29: [  PASSED  ] 27 tests.
-29/54 Test #29: GmxAnaTest ..........................   Passed    0.78 sec
+29/54 Test #29: GmxAnaTest ..........................   Passed    1.39 sec
 test 30
       Start 30: GmxPreprocessTests
 
@@ -59988,7 +59921,7 @@
 30: [ RUN      ] GenconfTest.nbox_norenumber_Works
 30: [       OK ] GenconfTest.nbox_norenumber_Works (0 ms)
 30: [ RUN      ] GenconfTest.nbox_dist_Works
-30: [       OK ] GenconfTest.nbox_dist_Works (1 ms)
+30: [       OK ] GenconfTest.nbox_dist_Works (0 ms)
 30: [ RUN      ] GenconfTest.nbox_rot_Works
 30: center of geometry: 1.733667, 1.477000, 0.905167
 30: center of geometry: 1.733667, 1.477000, 0.905167
@@ -60002,7 +59935,7 @@
 30: center of geometry: 1.733667, 1.477000, 0.905167
 30: center of geometry: 1.733667, 1.477000, 0.905167
 30: center of geometry: 1.733667, 1.477000, 0.905167
-30: [       OK ] GenconfTest.nbox_rot_Works (0 ms)
+30: [       OK ] GenconfTest.nbox_rot_Works (1 ms)
 30: [----------] 4 tests from GenconfTest (2 ms total)
 30: 
 30: [----------] 2 tests from GenionTest
@@ -60018,7 +59951,7 @@
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: Setting the LD random seed to -1112083233
+30: Setting the LD random seed to 2141093823
 30: Generated 331705 of the 331705 non-bonded parameter combinations
 30: Generating 1-4 interactions: fudge = 0.5
 30: Generated 331705 of the 331705 1-4 parameter combinations
@@ -60060,7 +59993,7 @@
 30: Will try to add 4 NA ions and 4 CL ions.
 30: Select a continuous group of solvent molecules
 30: Selected 1: 'Water'
-30: [       OK ] GenionTest.HighConcentrationIonPlacement (250 ms)
+30: [       OK ] GenionTest.HighConcentrationIonPlacement (267 ms)
 30: [ RUN      ] GenionTest.NoIonPlacement
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]:
@@ -60073,7 +60006,7 @@
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: Setting the LD random seed to -1229193355
+30: Setting the LD random seed to 671053695
 30: Generated 331705 of the 331705 non-bonded parameter combinations
 30: Generating 1-4 interactions: fudge = 0.5
 30: Generated 331705 of the 331705 1-4 parameter combinations
@@ -60096,8 +60029,8 @@
 30: There are:     1      Other residues
 30: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 30: This run will generate roughly 0 Mb of data
-30: [       OK ] GenionTest.NoIonPlacement (230 ms)
-30: [----------] 2 tests from GenionTest (480 ms total)
+30: [       OK ] GenionTest.NoIonPlacement (285 ms)
+30: [----------] 2 tests from GenionTest (552 ms total)
 30: 
 30: [----------] 1 test from GenRestrTest
 30: [ RUN      ] GenRestrTest.SimpleRestraintsGenerated
@@ -60253,7 +60186,7 @@
 30: Writing generated configuration to /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEnlargedBox_out.gro
 30: 
 30: Output configuration contains 10 atoms in 4 residues
-30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (0 ms)
+30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (1 ms)
 30: [ RUN      ] InsertMoleculesTest.InsertsMoleculesWithReplacement
 30: Reading solute configuration
 30: Initialising inter-atomic distances...
@@ -60319,7 +60252,7 @@
 30: Writing generated configuration to /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_out.gro
 30: 
 30: Output configuration contains 6 atoms in 3 residues
-30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (1 ms)
+30: [       OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (0 ms)
 30: [----------] 5 tests from InsertMoleculesTest (7 ms total)
 30: 
 30: [----------] 14 tests from GetIrTest
@@ -60331,9 +60264,9 @@
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (1 ms)
+30: [       OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (2 ms)
 30: [ RUN      ] GetIrTest.RejectsNonCommentLineWithNoEquals
-30: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (5 ms)
+30: [       OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (19 ms)
 30: [ RUN      ] GetIrTest.AcceptsKeyWithoutValue
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsKeyWithoutValue_input.mdp]:
@@ -60342,46 +60275,46 @@
 30: 
 30: [       OK ] GetIrTest.AcceptsKeyWithoutValue (2 ms)
 30: [ RUN      ] GetIrTest.RejectsValueWithoutKey
-30: [       OK ] GetIrTest.RejectsValueWithoutKey (5 ms)
+30: [       OK ] GetIrTest.RejectsValueWithoutKey (14 ms)
 30: [ RUN      ] GetIrTest.RejectsEmptyKeyAndEmptyValue
-30: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (5 ms)
+30: [       OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (16 ms)
 30: [ RUN      ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment (1 ms)
+30: [       OK ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment (2 ms)
 30: [ RUN      ] GetIrTest.AcceptsEmptyLines
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsEmptyLines_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsEmptyLines (2 ms)
+30: [       OK ] GetIrTest.AcceptsEmptyLines (1 ms)
 30: [ RUN      ] GetIrTest.AcceptsElectricField
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricField_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsElectricField (1 ms)
+30: [       OK ] GetIrTest.AcceptsElectricField (10 ms)
 30: [ RUN      ] GetIrTest.AcceptsElectricFieldPulsed
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldPulsed_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsElectricFieldPulsed (1 ms)
+30: [       OK ] GetIrTest.AcceptsElectricFieldPulsed (2 ms)
 30: [ RUN      ] GetIrTest.AcceptsElectricFieldOscillating
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldOscillating_input.mdp]:
 30:   For a correct single-point energy evaluation with nsteps = 0, use
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
-30: [       OK ] GetIrTest.AcceptsElectricFieldOscillating (2 ms)
+30: [       OK ] GetIrTest.AcceptsElectricFieldOscillating (1 ms)
 30: [ RUN      ] GetIrTest.RejectsDuplicateOldAndNewKeys
-30: [       OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (3 ms)
+30: [       OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (24 ms)
 30: [ RUN      ] GetIrTest.AcceptsImplicitSolventNo
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsImplicitSolventNo_input.mdp]:
@@ -60390,7 +60323,7 @@
 30: 
 30: [       OK ] GetIrTest.AcceptsImplicitSolventNo (2 ms)
 30: [ RUN      ] GetIrTest.RejectsImplicitSolventYes
-30: [       OK ] GetIrTest.RejectsImplicitSolventYes (5 ms)
+30: [       OK ] GetIrTest.RejectsImplicitSolventYes (14 ms)
 30: [ RUN      ] GetIrTest.AcceptsMimic
 30: 
 30: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsMimic_input.mdp]:
@@ -60398,7 +60331,7 @@
 30:   continuation = yes to avoid constraining the input coordinates.
 30: 
 30: [       OK ] GetIrTest.AcceptsMimic (2 ms)
-30: [----------] 14 tests from GetIrTest (37 ms total)
+30: [----------] 14 tests from GetIrTest (111 ms total)
 30: 
 30: [----------] 5 tests from SolvateTest
 30: [ RUN      ] SolvateTest.cs_box_Works
@@ -60438,7 +60371,7 @@
 30: Density                :     1056.36 (g/l)
 30: Number of solvent molecules:     47   
 30: 
-30: [       OK ] SolvateTest.cs_box_Works (4 ms)
+30: [       OK ] SolvateTest.cs_box_Works (13 ms)
 30: [ RUN      ] SolvateTest.cs_cp_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -60478,7 +60411,7 @@
 30: Density                :     974.777 (g/l)
 30: Number of solvent molecules:    886   
 30: 
-30: [       OK ] SolvateTest.cs_cp_Works (25 ms)
+30: [       OK ] SolvateTest.cs_cp_Works (44 ms)
 30: [ RUN      ] SolvateTest.cs_cp_p_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -60520,7 +60453,7 @@
 30: 
 30: Processing topology
 30: Adding line for 886 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_spc-and-methanol.top)
-30: [       OK ] SolvateTest.cs_cp_p_Works (24 ms)
+30: [       OK ] SolvateTest.cs_cp_p_Works (54 ms)
 30: [ RUN      ] SolvateTest.shell_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -60561,7 +60494,7 @@
 30: Density                :       279.3 (g/l)
 30: Number of solvent molecules:    252   
 30: 
-30: [       OK ] SolvateTest.shell_Works (12 ms)
+30: [       OK ] SolvateTest.shell_Works (23 ms)
 30: [ RUN      ] SolvateTest.update_Topology_Works
 30: Reading solute configuration
 30: Reading solvent configuration
@@ -60605,8 +60538,8 @@
 30: Processing topology
 30: Adding line for 1876 solvent molecules with resname (HOH) to topology file (/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
 30: Adding line for 2169 solvent molecules with resname (SOL) to topology file (/build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top)
-30: [       OK ] SolvateTest.update_Topology_Works (101 ms)
-30: [----------] 5 tests from SolvateTest (166 ms total)
+30: [       OK ] SolvateTest.update_Topology_Works (106 ms)
+30: [----------] 5 tests from SolvateTest (240 ms total)
 30: 
 30: [----------] 1 test from TopDirTests
 30: [ RUN      ] TopDirTests.NamesArrayHasCorrectSize
@@ -60614,9 +60547,9 @@
 30: [----------] 1 test from TopDirTests (0 ms total)
 30: 
 30: [----------] Global test environment tear-down
-30: [==========] 51 tests from 9 test cases ran. (693 ms total)
+30: [==========] 51 tests from 9 test cases ran. (913 ms total)
 30: [  PASSED  ] 51 tests.
-30/54 Test #30: GmxPreprocessTests ..................   Passed    0.71 sec
+30/54 Test #30: GmxPreprocessTests ..................   Passed    0.93 sec
 test 31
       Start 31: Pdb2gmx1Test
 
@@ -60683,7 +60616,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 (36 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 (40 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -60743,7 +60676,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 (47 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -60801,7 +60734,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 (37 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 (39 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -60859,7 +60792,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 (34 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 (36 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -60921,7 +60854,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 (39 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 (41 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -60984,7 +60917,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 (44 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 (46 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61045,7 +60978,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 (43 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61106,7 +61039,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip3p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 (36 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 (39 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61165,7 +61098,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 (36 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 (39 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61225,7 +61158,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 (44 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61283,7 +61216,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 (37 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 (39 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61341,7 +61274,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 (33 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 (36 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61403,7 +61336,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 (40 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 (42 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61466,7 +61399,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 (44 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 (46 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61527,7 +61460,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 (43 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61588,7 +61521,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 31: The Oplsaa force field and the tip4p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 (37 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 (39 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61707,7 +61640,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 (41 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 (40 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61765,7 +61698,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 (37 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 (36 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61885,7 +61818,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 (39 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 (40 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -61948,7 +61881,7 @@
 31: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
-31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 (44 ms)
+31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 (43 ms)
 31: [ RUN      ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22
 31: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b
 31: All occupancies are one
@@ -62071,12 +62004,12 @@
 31: The Oplsaa force field and the tip5p water model are used.
 31: 		--------- ETON ESAELP ------------
 31: [       OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23 (37 ms)
-31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest (928 ms total)
+31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest (969 ms total)
 31: 
 31: [----------] Global test environment tear-down
-31: [==========] 24 tests from 1 test case ran. (929 ms total)
+31: [==========] 24 tests from 1 test case ran. (969 ms total)
 31: [  PASSED  ] 24 tests.
-31/54 Test #31: Pdb2gmx1Test ........................   Passed    0.94 sec
+31/54 Test #31: Pdb2gmx1Test ........................   Passed    0.98 sec
 test 32
       Start 32: Pdb2gmx2Test
 
@@ -62158,7 +62091,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 (28 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62233,7 +62166,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 (27 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 (33 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62306,7 +62239,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 (28 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62379,7 +62312,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 (21 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 (26 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62456,7 +62389,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 (29 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62534,7 +62467,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 (28 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 (34 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62610,7 +62543,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 (28 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62686,7 +62619,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 (23 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 (25 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62760,7 +62693,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 (23 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 (25 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62835,7 +62768,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 (27 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 (29 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62908,7 +62841,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 (23 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 (26 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -62981,7 +62914,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 (22 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 (24 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63058,7 +62991,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 (24 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 (27 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63136,7 +63069,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 (27 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 (34 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63212,7 +63145,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 (25 ms)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 (30 ms)
 32: [ RUN      ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63288,8 +63221,8 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos43a1 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 (22 ms)
-32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest (388 ms total)
+32: [       OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 (28 ms)
+32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest (455 ms total)
 32: 
 32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -63369,7 +63302,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 (25 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 (30 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63448,7 +63381,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 (29 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 (35 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63525,7 +63458,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 (31 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63602,7 +63535,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 (23 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 (27 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63683,7 +63616,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 (28 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63765,7 +63698,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 (30 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 (33 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63845,7 +63778,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 (27 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 (29 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -63925,7 +63858,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos53a6 force field and the spc water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7 (24 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7 (27 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64003,7 +63936,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 (25 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 (27 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64082,7 +64015,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 (29 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 (31 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64159,7 +64092,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 (25 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 (26 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64236,7 +64169,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 (23 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 (32 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64317,7 +64250,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 (29 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64399,7 +64332,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 (30 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 (34 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64479,7 +64412,7 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 (26 ms)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 (30 ms)
 32: [ RUN      ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15
 32: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b
 32: All occupancies are one
@@ -64559,13 +64492,13 @@
 32: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 32: The Gromos53a6 force field and the spce water model are used.
 32: 		--------- ETON ESAELP ------------
-32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 (25 ms)
-32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest (420 ms total)
+32: [       OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 (29 ms)
+32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest (479 ms total)
 32: 
 32: [----------] Global test environment tear-down
-32: [==========] 32 tests from 2 test cases ran. (808 ms total)
+32: [==========] 32 tests from 2 test cases ran. (934 ms total)
 32: [  PASSED  ] 32 tests.
-32/54 Test #32: Pdb2gmx2Test ........................   Passed    0.82 sec
+32/54 Test #32: Pdb2gmx2Test ........................   Passed    0.95 sec
 test 33
       Start 33: Pdb2gmx3Test
 
@@ -64710,7 +64643,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 (41 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 (42 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -64844,7 +64777,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 (33 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 (34 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -64987,7 +64920,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 (45 ms)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 (44 ms)
 33: [ RUN      ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b
@@ -65127,8 +65060,8 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 33: The Amber99sb-ildn force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 (36 ms)
-33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest (312 ms total)
+33: [       OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 (37 ms)
+33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest (313 ms total)
 33: 
 33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -65281,7 +65214,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/1 (41 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/1 (38 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/2
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -65355,7 +65288,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/2 (37 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/2 (34 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -65429,7 +65362,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 (33 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 (31 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -65507,7 +65440,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 (40 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 (37 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -65586,7 +65519,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 (43 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 (40 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -65663,7 +65596,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 (42 ms)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 (38 ms)
 33: [ RUN      ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -65740,8 +65673,8 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7 (36 ms)
-33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest (309 ms total)
+33: [       OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7 (33 ms)
+33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest (290 ms total)
 33: 
 33: [----------] 8 tests from ChainSep/Pdb2gmxTest
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -65829,7 +65762,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 (37 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 (34 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -66050,7 +65983,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 (37 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 (35 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -66185,7 +66118,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 (26 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 (25 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -66275,7 +66208,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4 (37 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4 (36 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/5
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -66436,7 +66369,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/5 (24 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/5 (25 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/6
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -66518,7 +66451,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/6 (36 ms)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/6 (35 ms)
 33: [ RUN      ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -66626,8 +66559,8 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7 (27 ms)
-33: [----------] 8 tests from ChainSep/Pdb2gmxTest (251 ms total)
+33: [       OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7 (26 ms)
+33: [----------] 8 tests from ChainSep/Pdb2gmxTest (241 ms total)
 33: 
 33: [----------] 4 tests from ChainChanges/Pdb2gmxTest
 33: [ RUN      ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0
@@ -66827,7 +66760,7 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/1 (16 ms)
+33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/1 (17 ms)
 33: [ RUN      ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/2
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b
 33: Opening force field file /build/reproducible-path/gromacs-2020.6/share/top/charmm27.ff/rna.r2b
@@ -67025,13 +66958,13 @@
 33: You have successfully generated a topology from: /build/reproducible-path/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb.
 33: The Charmm27 force field and the tip3p water model are used.
 33: 		--------- ETON ESAELP ------------
-33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 (16 ms)
-33: [----------] 4 tests from ChainChanges/Pdb2gmxTest (66 ms total)
+33: [       OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 (17 ms)
+33: [----------] 4 tests from ChainChanges/Pdb2gmxTest (68 ms total)
 33: 
 33: [----------] Global test environment tear-down
-33: [==========] 28 tests from 4 test cases ran. (938 ms total)
+33: [==========] 28 tests from 4 test cases ran. (912 ms total)
 33: [  PASSED  ] 28 tests.
-33/54 Test #33: Pdb2gmx3Test ........................   Passed    0.95 sec
+33/54 Test #33: Pdb2gmx3Test ........................   Passed    0.92 sec
 test 34
       Start 34: CorrelationsTest
 
@@ -67041,59 +66974,59 @@
 34: [----------] Global test environment set-up.
 34: [----------] 10 tests from AutocorrTest
 34: [ RUN      ] AutocorrTest.EacNormal
-34: [       OK ] AutocorrTest.EacNormal (9 ms)
+34: [       OK ] AutocorrTest.EacNormal (43 ms)
 34: [ RUN      ] AutocorrTest.EacNoNormalize
-34: [       OK ] AutocorrTest.EacNoNormalize (7 ms)
+34: [       OK ] AutocorrTest.EacNoNormalize (25 ms)
 34: [ RUN      ] AutocorrTest.EacCos
-34: [       OK ] AutocorrTest.EacCos (16 ms)
+34: [       OK ] AutocorrTest.EacCos (64 ms)
 34: [ RUN      ] AutocorrTest.EacVector
-34: [       OK ] AutocorrTest.EacVector (22 ms)
+34: [       OK ] AutocorrTest.EacVector (79 ms)
 34: [ RUN      ] AutocorrTest.EacRcross
-34: [       OK ] AutocorrTest.EacRcross (1 ms)
+34: [       OK ] AutocorrTest.EacRcross (0 ms)
 34: [ RUN      ] AutocorrTest.EacP0
-34: [       OK ] AutocorrTest.EacP0 (26 ms)
+34: [       OK ] AutocorrTest.EacP0 (80 ms)
 34: [ RUN      ] AutocorrTest.EacP1
-34: [       OK ] AutocorrTest.EacP1 (28 ms)
+34: [       OK ] AutocorrTest.EacP1 (95 ms)
 34: [ RUN      ] AutocorrTest.EacP2
-34: [       OK ] AutocorrTest.EacP2 (49 ms)
+34: [       OK ] AutocorrTest.EacP2 (204 ms)
 34: [ RUN      ] AutocorrTest.EacP3
-34: [       OK ] AutocorrTest.EacP3 (4 ms)
+34: [       OK ] AutocorrTest.EacP3 (2 ms)
 34: [ RUN      ] AutocorrTest.EacP4
-34: [       OK ] AutocorrTest.EacP4 (29 ms)
-34: [----------] 10 tests from AutocorrTest (192 ms total)
+34: [       OK ] AutocorrTest.EacP4 (102 ms)
+34: [----------] 10 tests from AutocorrTest (695 ms total)
 34: 
 34: [----------] 1 test from ManyAutocorrelationTest
 34: [ RUN      ] ManyAutocorrelationTest.Empty
-34: [       OK ] ManyAutocorrelationTest.Empty (0 ms)
-34: [----------] 1 test from ManyAutocorrelationTest (0 ms total)
+34: [       OK ] ManyAutocorrelationTest.Empty (1 ms)
+34: [----------] 1 test from ManyAutocorrelationTest (1 ms total)
 34: 
 34: [----------] 10 tests from ExpfitTest
 34: [ RUN      ] ExpfitTest.EffnEXP1
-34: [       OK ] ExpfitTest.EffnEXP1 (1 ms)
+34: [       OK ] ExpfitTest.EffnEXP1 (0 ms)
 34: [ RUN      ] ExpfitTest.EffnEXP2
 34: [       OK ] ExpfitTest.EffnEXP2 (1 ms)
 34: [ RUN      ] ExpfitTest.EffnEXPEXP
-34: [       OK ] ExpfitTest.EffnEXPEXP (2 ms)
+34: [       OK ] ExpfitTest.EffnEXPEXP (0 ms)
 34: [ RUN      ] ExpfitTest.EffnEXP5
-34: [       OK ] ExpfitTest.EffnEXP5 (5 ms)
+34: [       OK ] ExpfitTest.EffnEXP5 (2 ms)
 34: [ RUN      ] ExpfitTest.EffnEXP7
-34: [       OK ] ExpfitTest.EffnEXP7 (5 ms)
+34: [       OK ] ExpfitTest.EffnEXP7 (2 ms)
 34: [ RUN      ] ExpfitTest.EffnEXP9
-34: [       OK ] ExpfitTest.EffnEXP9 (18 ms)
+34: [       OK ] ExpfitTest.EffnEXP9 (19 ms)
 34: [ RUN      ] ExpfitTest.EffnERF
-34: [       OK ] ExpfitTest.EffnERF (2 ms)
+34: [       OK ] ExpfitTest.EffnERF (1 ms)
 34: [ RUN      ] ExpfitTest.EffnERREST
 34: [       OK ] ExpfitTest.EffnERREST (1 ms)
 34: [ RUN      ] ExpfitTest.EffnVAC
-34: [       OK ] ExpfitTest.EffnVAC (12 ms)
+34: [       OK ] ExpfitTest.EffnVAC (15 ms)
 34: [ RUN      ] ExpfitTest.EffnPRES
-34: [       OK ] ExpfitTest.EffnPRES (11 ms)
-34: [----------] 10 tests from ExpfitTest (58 ms total)
+34: [       OK ] ExpfitTest.EffnPRES (18 ms)
+34: [----------] 10 tests from ExpfitTest (59 ms total)
 34: 
 34: [----------] Global test environment tear-down
-34: [==========] 21 tests from 3 test cases ran. (255 ms total)
+34: [==========] 21 tests from 3 test cases ran. (757 ms total)
 34: [  PASSED  ] 21 tests.
-34/54 Test #34: CorrelationsTest ....................   Passed    0.27 sec
+34/54 Test #34: CorrelationsTest ....................   Passed    0.77 sec
 test 35
       Start 35: AnalysisDataUnitTests
 
@@ -67105,39 +67038,39 @@
 35: [ RUN      ] AnalysisDataInitializationTest.BasicInitialization
 35: [       OK ] AnalysisDataInitializationTest.BasicInitialization (0 ms)
 35: [ RUN      ] AnalysisDataInitializationTest.ChecksMultiColumnModules
-35: [       OK ] AnalysisDataInitializationTest.ChecksMultiColumnModules (1 ms)
+35: [       OK ] AnalysisDataInitializationTest.ChecksMultiColumnModules (0 ms)
 35: [ RUN      ] AnalysisDataInitializationTest.ChecksMultipointModules
 35: [       OK ] AnalysisDataInitializationTest.ChecksMultipointModules (0 ms)
-35: [----------] 3 tests from AnalysisDataInitializationTest (1 ms total)
+35: [----------] 3 tests from AnalysisDataInitializationTest (0 ms total)
 35: 
 35: [----------] 8 tests from AnalysisDataCommonTest/0, where TypeParam = (anonymous namespace)::SimpleInputData
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/0.CallsModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/0.CallsModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsParallelModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/0.CallsParallelModuleCorrectly (0 ms)
+35: [       OK ] AnalysisDataCommonTest/0.CallsParallelModuleCorrectly (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly
-35: [       OK ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly
 35: [       OK ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames
-35: [       OK ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms)
+35: [       OK ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.FullStorageWorks
-35: [       OK ] AnalysisDataCommonTest/0.FullStorageWorks (1 ms)
+35: [       OK ] AnalysisDataCommonTest/0.FullStorageWorks (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData
 35: [       OK ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/0.LimitedStorageWorks
 35: [       OK ] AnalysisDataCommonTest/0.LimitedStorageWorks (0 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/0 (4 ms total)
+35: [----------] 8 tests from AnalysisDataCommonTest/0 (1 ms total)
 35: 
 35: [----------] 8 tests from AnalysisDataCommonTest/1, where TypeParam = (anonymous namespace)::DataSetsInputData
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsModuleCorrectly
 35: [       OK ] AnalysisDataCommonTest/1.CallsModuleCorrectly (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly
 35: [       OK ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames
 35: [       OK ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.FullStorageWorks
@@ -67146,26 +67079,26 @@
 35: [       OK ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/1.LimitedStorageWorks
 35: [       OK ] AnalysisDataCommonTest/1.LimitedStorageWorks (0 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/1 (5 ms total)
+35: [----------] 8 tests from AnalysisDataCommonTest/1 (2 ms total)
 35: 
 35: [----------] 8 tests from AnalysisDataCommonTest/2, where TypeParam = (anonymous namespace)::MultipointInputData
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/2.CallsModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly (0 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly
-35: [       OK ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames
 35: [       OK ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.FullStorageWorks
-35: [       OK ] AnalysisDataCommonTest/2.FullStorageWorks (1 ms)
+35: [       OK ] AnalysisDataCommonTest/2.FullStorageWorks (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData
 35: [       OK ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/2.LimitedStorageWorks
-35: [       OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (1 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/2 (6 ms total)
+35: [       OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (0 ms)
+35: [----------] 8 tests from AnalysisDataCommonTest/2 (2 ms total)
 35: 
 35: [----------] 8 tests from AnalysisDataCommonTest/3, where TypeParam = (anonymous namespace)::MultipointDataSetsInputData
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsModuleCorrectly
@@ -67173,51 +67106,51 @@
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly
 35: [       OK ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly
-35: [       OK ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly
-35: [       OK ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly (1 ms)
+35: [       OK ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames
-35: [       OK ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms)
+35: [       OK ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.FullStorageWorks
-35: [       OK ] AnalysisDataCommonTest/3.FullStorageWorks (0 ms)
+35: [       OK ] AnalysisDataCommonTest/3.FullStorageWorks (1 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData
-35: [       OK ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData (1 ms)
+35: [       OK ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData (0 ms)
 35: [ RUN      ] AnalysisDataCommonTest/3.LimitedStorageWorks
 35: [       OK ] AnalysisDataCommonTest/3.LimitedStorageWorks (0 ms)
-35: [----------] 8 tests from AnalysisDataCommonTest/3 (5 ms total)
+35: [----------] 8 tests from AnalysisDataCommonTest/3 (2 ms total)
 35: 
 35: [----------] 4 tests from AnalysisArrayDataTest
 35: [ RUN      ] AnalysisArrayDataTest.CallsModuleCorrectly
-35: [       OK ] AnalysisArrayDataTest.CallsModuleCorrectly (1 ms)
+35: [       OK ] AnalysisArrayDataTest.CallsModuleCorrectly (8 ms)
 35: [ RUN      ] AnalysisArrayDataTest.StorageWorks
 35: [       OK ] AnalysisArrayDataTest.StorageWorks (0 ms)
 35: [ RUN      ] AnalysisArrayDataTest.CanSetXAxis
 35: [       OK ] AnalysisArrayDataTest.CanSetXAxis (0 ms)
 35: [ RUN      ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount
 35: [       OK ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount (0 ms)
-35: [----------] 4 tests from AnalysisArrayDataTest (1 ms total)
+35: [----------] 4 tests from AnalysisArrayDataTest (8 ms total)
 35: 
 35: [----------] 6 tests from AverageModuleTest
 35: [ RUN      ] AverageModuleTest.BasicTest
 35: [       OK ] AverageModuleTest.BasicTest (1 ms)
 35: [ RUN      ] AverageModuleTest.HandlesMultipointData
-35: [       OK ] AverageModuleTest.HandlesMultipointData (1 ms)
+35: [       OK ] AverageModuleTest.HandlesMultipointData (0 ms)
 35: [ RUN      ] AverageModuleTest.HandlesMultipleDataSets
 35: [       OK ] AverageModuleTest.HandlesMultipleDataSets (1 ms)
 35: [ RUN      ] AverageModuleTest.HandlesDataSetAveraging
-35: [       OK ] AverageModuleTest.HandlesDataSetAveraging (1 ms)
+35: [       OK ] AverageModuleTest.HandlesDataSetAveraging (0 ms)
 35: [ RUN      ] AverageModuleTest.CanCustomizeXAxis
-35: [       OK ] AverageModuleTest.CanCustomizeXAxis (1 ms)
+35: [       OK ] AverageModuleTest.CanCustomizeXAxis (0 ms)
 35: [ RUN      ] AverageModuleTest.CanCustomizeNonUniformXAxis
-35: [       OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (0 ms)
-35: [----------] 6 tests from AverageModuleTest (6 ms total)
+35: [       OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (1 ms)
+35: [----------] 6 tests from AverageModuleTest (3 ms total)
 35: 
 35: [----------] 2 tests from FrameAverageModuleTest
 35: [ RUN      ] FrameAverageModuleTest.BasicTest
-35: [       OK ] FrameAverageModuleTest.BasicTest (1 ms)
+35: [       OK ] FrameAverageModuleTest.BasicTest (0 ms)
 35: [ RUN      ] FrameAverageModuleTest.HandlesMultipleDataSets
-35: [       OK ] FrameAverageModuleTest.HandlesMultipleDataSets (1 ms)
-35: [----------] 2 tests from FrameAverageModuleTest (2 ms total)
+35: [       OK ] FrameAverageModuleTest.HandlesMultipleDataSets (0 ms)
+35: [----------] 2 tests from FrameAverageModuleTest (0 ms total)
 35: 
 35: [----------] 7 tests from AnalysisHistogramSettingsTest
 35: [ RUN      ] AnalysisHistogramSettingsTest.InitializesFromBins
@@ -67240,51 +67173,51 @@
 35: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectly
 35: [       OK ] SimpleHistogramModuleTest.ComputesCorrectly (1 ms)
 35: [ RUN      ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll
-35: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
-35: [----------] 2 tests from SimpleHistogramModuleTest (3 ms total)
+35: [       OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (9 ms)
+35: [----------] 2 tests from SimpleHistogramModuleTest (10 ms total)
 35: 
 35: [----------] 3 tests from WeightedHistogramModuleTest
 35: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectly
-35: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (1 ms)
+35: [       OK ] WeightedHistogramModuleTest.ComputesCorrectly (0 ms)
 35: [ RUN      ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll
 35: [       OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (1 ms)
 35: [ RUN      ] WeightedHistogramModuleTest.HandlesMultipleDataSets
-35: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (2 ms)
-35: [----------] 3 tests from WeightedHistogramModuleTest (4 ms total)
+35: [       OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (0 ms)
+35: [----------] 3 tests from WeightedHistogramModuleTest (1 ms total)
 35: 
 35: [----------] 3 tests from BinAverageModuleTest
 35: [ RUN      ] BinAverageModuleTest.ComputesCorrectly
 35: [       OK ] BinAverageModuleTest.ComputesCorrectly (1 ms)
 35: [ RUN      ] BinAverageModuleTest.ComputesCorrectlyWithAll
-35: [       OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (1 ms)
+35: [       OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (0 ms)
 35: [ RUN      ] BinAverageModuleTest.HandlesMultipleDataSets
 35: [       OK ] BinAverageModuleTest.HandlesMultipleDataSets (1 ms)
-35: [----------] 3 tests from BinAverageModuleTest (3 ms total)
+35: [----------] 3 tests from BinAverageModuleTest (2 ms total)
 35: 
 35: [----------] 4 tests from AbstractAverageHistogramTest
 35: [ RUN      ] AbstractAverageHistogramTest.ClonesCorrectly
-35: [       OK ] AbstractAverageHistogramTest.ClonesCorrectly (1 ms)
+35: [       OK ] AbstractAverageHistogramTest.ClonesCorrectly (0 ms)
 35: [ RUN      ] AbstractAverageHistogramTest.ComputesCumulativeHistogram
 35: [       OK ] AbstractAverageHistogramTest.ComputesCumulativeHistogram (1 ms)
 35: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth
-35: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (1 ms)
+35: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (0 ms)
 35: [ RUN      ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins
 35: [       OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins (1 ms)
-35: [----------] 4 tests from AbstractAverageHistogramTest (4 ms total)
+35: [----------] 4 tests from AbstractAverageHistogramTest (2 ms total)
 35: 
 35: [----------] 3 tests from LifetimeModuleTest
 35: [ RUN      ] LifetimeModuleTest.BasicTest
-35: [       OK ] LifetimeModuleTest.BasicTest (1 ms)
+35: [       OK ] LifetimeModuleTest.BasicTest (0 ms)
 35: [ RUN      ] LifetimeModuleTest.CumulativeTest
 35: [       OK ] LifetimeModuleTest.CumulativeTest (0 ms)
 35: [ RUN      ] LifetimeModuleTest.HandlesMultipleDataSets
-35: [       OK ] LifetimeModuleTest.HandlesMultipleDataSets (0 ms)
-35: [----------] 3 tests from LifetimeModuleTest (2 ms total)
+35: [       OK ] LifetimeModuleTest.HandlesMultipleDataSets (1 ms)
+35: [----------] 3 tests from LifetimeModuleTest (1 ms total)
 35: 
 35: [----------] Global test environment tear-down
-35: [==========] 69 tests from 14 test cases ran. (46 ms total)
+35: [==========] 69 tests from 14 test cases ran. (34 ms total)
 35: [  PASSED  ] 69 tests.
-35/54 Test #35: AnalysisDataUnitTests ...............   Passed    0.07 sec
+35/54 Test #35: AnalysisDataUnitTests ...............   Passed    0.06 sec
 test 36
       Start 36: CoordinateIOTests
 
@@ -67302,8 +67235,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (8 ms)
-36: [----------] 1 test from OutputSelectorDeathTest (9 ms total)
+36: [       OK ] OutputSelectorDeathTest.RejectsBadSelection (19 ms)
+36: [----------] 1 test from OutputSelectorDeathTest (19 ms total)
 36: 
 36: [----------] 5 tests from TrajectoryFrameWriterTest
 36: [ RUN      ] TrajectoryFrameWriterTest.RejectsWrongFiletype
@@ -67315,7 +67248,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (5 ms)
+36: [       OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (3 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67325,7 +67258,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (5 ms)
+36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (2 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67335,7 +67268,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (6 ms)
+36: [       OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (2 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67353,10 +67286,10 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (11 ms)
+36: [       OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (12 ms)
 36: [ RUN      ] TrajectoryFrameWriterTest.TNGOutputWorks
 36: [       OK ] TrajectoryFrameWriterTest.TNGOutputWorks (0 ms)
-36: [----------] 5 tests from TrajectoryFrameWriterTest (27 ms total)
+36: [----------] 5 tests from TrajectoryFrameWriterTest (19 ms total)
 36: 
 36: [----------] 5 tests from OutputAdapterContainer
 36: [ RUN      ] OutputAdapterContainer.MakeEmpty
@@ -67373,7 +67306,7 @@
 36: 
 36: [----------] 5 tests from FlagTest
 36: [ RUN      ] FlagTest.CanSetSimpleFlag
-36: [       OK ] FlagTest.CanSetSimpleFlag (0 ms)
+36: [       OK ] FlagTest.CanSetSimpleFlag (1 ms)
 36: [ RUN      ] FlagTest.CanAddNewBox
 36: [       OK ] FlagTest.CanAddNewBox (0 ms)
 36: [ RUN      ] FlagTest.SetsImplicitPrecisionChange
@@ -67382,7 +67315,7 @@
 36: [       OK ] FlagTest.SetsImplicitStartTimeChange (0 ms)
 36: [ RUN      ] FlagTest.SetsImplicitTimeStepChange
 36: [       OK ] FlagTest.SetsImplicitTimeStepChange (0 ms)
-36: [----------] 5 tests from FlagTest (0 ms total)
+36: [----------] 5 tests from FlagTest (1 ms total)
 36: 
 36: [----------] 5 tests from SetAtomsTest
 36: [ RUN      ] SetAtomsTest.RemovesExistingAtoms
@@ -67394,7 +67327,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.RemovesExistingAtoms (5 ms)
+36: [       OK ] SetAtomsTest.RemovesExistingAtoms (6 ms)
 36: [ RUN      ] SetAtomsTest.AddsNewAtoms
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67404,7 +67337,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.AddsNewAtoms (5 ms)
+36: [       OK ] SetAtomsTest.AddsNewAtoms (2 ms)
 36: [ RUN      ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67414,7 +67347,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (4 ms)
+36: [       OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (6 ms)
 36: [ RUN      ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67424,7 +67357,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (4 ms)
+36: [       OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (10 ms)
 36: [ RUN      ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67434,8 +67367,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (4 ms)
-36: [----------] 5 tests from SetAtomsTest (22 ms total)
+36: [       OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (3 ms)
+36: [----------] 5 tests from SetAtomsTest (27 ms total)
 36: 
 36: [----------] 2 tests from SetBothTimeTest
 36: [ RUN      ] SetBothTimeTest.StartTimeZeroWorks
@@ -67466,7 +67399,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (4 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (6 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67476,7 +67409,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (4 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (2 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67486,7 +67419,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (3 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (10 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67496,7 +67429,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (3 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (2 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67506,7 +67439,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (3 ms)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (7 ms)
 36: [ RUN      ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67516,8 +67449,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (3 ms)
-36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (20 ms total)
+36: [       OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (2 ms)
+36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (29 ms total)
 36: 
 36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles
 36: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/0
@@ -67529,7 +67462,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (3 ms)
+36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (6 ms)
 36: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67539,7 +67472,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (3 ms)
+36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (6 ms)
 36: [ RUN      ] ModuleSupported/SetAtomsSupportedFiles.Works/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67550,7 +67483,7 @@
 36:          files if necessary.
 36: 
 36: [       OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (2 ms)
-36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (8 ms total)
+36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (14 ms total)
 36: 
 36: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles
 36: [ RUN      ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0
@@ -67579,7 +67512,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (5 ms)
+36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (13 ms)
 36: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67597,7 +67530,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (5 ms)
+36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (10 ms)
 36: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67615,7 +67548,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (5 ms)
+36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (13 ms)
 36: [ RUN      ] ModuleSupported/AnyOutputSupportedFiles.Works/3
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67633,8 +67566,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (5 ms)
-36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (20 ms total)
+36: [       OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (8 ms)
+36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (44 ms total)
 36: 
 36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles
 36: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/0
@@ -67646,7 +67579,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/0 (2 ms)
+36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/0 (3 ms)
 36: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67656,7 +67589,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (3 ms)
+36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (2 ms)
 36: [ RUN      ] ModuleSupported/SetVelocitySupportedFiles.Works/2
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67666,8 +67599,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (2 ms)
-36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (7 ms total)
+36: [       OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (10 ms)
+36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (15 ms total)
 36: 
 36: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles
 36: [ RUN      ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0
@@ -67698,19 +67631,19 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (2 ms)
-36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (4 ms total)
+36: [       OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (6 ms)
+36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (8 ms total)
 36: 
 36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles
 36: [ RUN      ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0
 36: [       OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0 (0 ms)
 36: [ RUN      ] ModuleUnSupported/SetForceUnSupportedFiles.Works/1
-36: [       OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/1 (0 ms)
+36: [       OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/1 (1 ms)
 36: [ RUN      ] ModuleUnSupported/SetForceUnSupportedFiles.Works/2
 36: [       OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/2 (0 ms)
 36: [ RUN      ] ModuleUnSupported/SetForceUnSupportedFiles.Works/3
 36: [       OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/3 (0 ms)
-36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles (0 ms total)
+36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles (1 ms total)
 36: 
 36: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles
 36: [ RUN      ] ModuleSupported/SetPrecisionSupportedFiles.Works/0
@@ -67732,8 +67665,8 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (2 ms)
-36: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (4 ms total)
+36: [       OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (10 ms)
+36: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (12 ms total)
 36: 
 36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0
@@ -67741,10 +67674,10 @@
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1
 36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1 (0 ms)
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2
-36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2 (1 ms)
+36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2 (0 ms)
 36: [ RUN      ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3
 36: [       OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3 (0 ms)
-36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles (1 ms total)
+36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles (0 ms total)
 36: 
 36: [----------] 4 tests from ModuleSupported/NoOptionalOutput
 36: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/0
@@ -67756,7 +67689,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/NoOptionalOutput.Works/0 (1 ms)
+36: [       OK ] ModuleSupported/NoOptionalOutput.Works/0 (6 ms)
 36: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/1
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67776,7 +67709,7 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/NoOptionalOutput.Works/2 (2 ms)
+36: [       OK ] ModuleSupported/NoOptionalOutput.Works/2 (6 ms)
 36: [ RUN      ] ModuleSupported/NoOptionalOutput.Works/3
 36: 
 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -67786,13 +67719,13 @@
 36:          and radius of the atom type. Please check the output
 36:          files if necessary.
 36: 
-36: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (1 ms)
-36: [----------] 4 tests from ModuleSupported/NoOptionalOutput (8 ms total)
+36: [       OK ] ModuleSupported/NoOptionalOutput.Works/3 (2 ms)
+36: [----------] 4 tests from ModuleSupported/NoOptionalOutput (17 ms total)
 36: 
 36: [----------] Global test environment tear-down
-36: [==========] 64 tests from 19 test cases ran. (131 ms total)
+36: [==========] 64 tests from 19 test cases ran. (206 ms total)
 36: [  PASSED  ] 64 tests.
-36/54 Test #36: CoordinateIOTests ...................   Passed    0.15 sec
+36/54 Test #36: CoordinateIOTests ...................   Passed    0.24 sec
 test 37
       Start 37: TrajectoryAnalysisUnitTests
 
@@ -67809,7 +67742,7 @@
 37: Total number of atoms in clusters =  24
 37: cmid: 2, cmax: 4, max_size: 6
 37:  16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6
-37:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (2 ms)
+37:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolDefaultCutoff (1 ms)
 37: [ RUN      ] ClustsizeTest.NoMolShortCutoff
 37: Reading frames from pdb file
Reading frame       0 time    0.000   Group     0 (            SOL) has    24 elements
 37: There is one group in the index
@@ -67818,7 +67751,7 @@
 37: Total number of atoms in clusters =  24
 37: cmid: 1, cmax: 6, max_size: 6
 37:  16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6
-37:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolShortCutoff (1 ms)
+37:  16% 33% 50% 66% 83%100%[       OK ] ClustsizeTest.NoMolShortCutoff (0 ms)
 37: [ RUN      ] ClustsizeTest.MolDefaultCutoff
 37: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -67827,7 +67760,7 @@
 37: Total number of atoms in clusters =  8
 37: cmid: 2, cmax: 4, max_size: 2
 37:  50%100%cmid: 2, cmax: 6, max_size: 2
-37:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (2 ms)
+37:  50%100%[       OK ] ClustsizeTest.MolDefaultCutoff (1 ms)
 37: [ RUN      ] ClustsizeTest.MolShortCutoff
 37: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -67836,7 +67769,7 @@
 37: Total number of atoms in clusters =  8
 37: cmid: 1, cmax: 6, max_size: 2
 37:  50%100%cmid: 2, cmax: 6, max_size: 2
-37:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (2 ms)
+37:  50%100%[       OK ] ClustsizeTest.MolShortCutoff (1 ms)
 37: [ RUN      ] ClustsizeTest.MolCSize
 37: Reading frames from pdb file
Reading frame       0 time    0.000   Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -67845,12 +67778,12 @@
 37: Total number of atoms in clusters =  8
 37: cmid: 2, cmax: 4, max_size: 2
 37:  50%100%cmid: 2, cmax: 6, max_size: 2
-37:  50%100%[       OK ] ClustsizeTest.MolCSize (2 ms)
-37: [----------] 5 tests from ClustsizeTest (10 ms total)
+37:  50%100%[       OK ] ClustsizeTest.MolCSize (1 ms)
+37: [----------] 5 tests from ClustsizeTest (4 ms total)
 37: 
 37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest
 37: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp
-37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (1 ms)
+37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (0 ms)
 37: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory
 37: Reading frames from gro file 'Test system', 8 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -67869,7 +67802,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (4 ms)
+37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (2 ms)
 37: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset
 37: Reading frames from gro file 'Test system', 8 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -67886,10 +67819,10 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (4 ms)
+37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (9 ms)
 37: [ RUN      ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory
 37: [       OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (1 ms)
-37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (10 ms total)
+37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (12 ms total)
 37: 
 37: [----------] 11 tests from AngleModuleTest
 37: [ RUN      ] AngleModuleTest.ComputesSimpleAngles
@@ -67908,7 +67841,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesSimpleAngles (4 ms)
+37: [       OK ] AngleModuleTest.ComputesSimpleAngles (2 ms)
 37: [ RUN      ] AngleModuleTest.ComputesDihedrals
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -67925,7 +67858,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesDihedrals (4 ms)
+37: [       OK ] AngleModuleTest.ComputesDihedrals (5 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorPairAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -67942,7 +67875,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesVectorPairAngles (4 ms)
+37: [       OK ] AngleModuleTest.ComputesVectorPairAngles (2 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorPlanePairAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -67959,7 +67892,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesVectorPlanePairAngles (4 ms)
+37: [       OK ] AngleModuleTest.ComputesVectorPlanePairAngles (1 ms)
 37: [ RUN      ] AngleModuleTest.ComputesPlaneZAxisAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -67976,7 +67909,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (4 ms)
+37: [       OK ] AngleModuleTest.ComputesPlaneZAxisAngles (9 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -67993,7 +67926,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (4 ms)
+37: [       OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (2 ms)
 37: [ RUN      ] AngleModuleTest.ComputesVectorTimeZeroAngles
 37: Reading frames from gro file 'Test system for different angles', 33 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -68012,7 +67945,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (3 ms)
+37: [       OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (2 ms)
 37: [ RUN      ] AngleModuleTest.ComputesMultipleAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68029,7 +67962,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.ComputesMultipleAngles (4 ms)
+37: [       OK ] AngleModuleTest.ComputesMultipleAngles (1 ms)
 37: [ RUN      ] AngleModuleTest.HandlesDynamicSelections
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68046,7 +67979,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.HandlesDynamicSelections (3 ms)
+37: [       OK ] AngleModuleTest.HandlesDynamicSelections (2 ms)
 37: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68063,7 +67996,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (2 ms)
+37: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (9 ms)
 37: [ RUN      ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68081,7 +68014,7 @@
 37:          files if necessary.
 37: 
 37: [       OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (2 ms)
-37: [----------] 11 tests from AngleModuleTest (39 ms total)
+37: [----------] 11 tests from AngleModuleTest (38 ms total)
 37: 
 37: [----------] 4 tests from ConvertTrjModuleTest
 37: [ RUN      ] ConvertTrjModuleTest.WritesNormalOutput
@@ -68089,20 +68022,20 @@
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 37: Analyzed 1 frames, last time 0.000
-37: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (10 ms)
+37: [       OK ] ConvertTrjModuleTest.WritesNormalOutput (14 ms)
 37: [ RUN      ] ConvertTrjModuleTest.WritesAtomSubset
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 37: Analyzed 1 frames, last time 0.000
-37: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (9 ms)
+37: [       OK ] ConvertTrjModuleTest.WritesAtomSubset (15 ms)
 37: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomAdding
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading frames from pdb file
Reading frame       0 time    0.000    '', 24 atoms
 37: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 37: Analyzed 2 frames, last time 0.000
-37: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (2 ms)
+37: [       OK ] ConvertTrjModuleTest.WorksWithAtomAdding (1 ms)
 37: [ RUN      ] ConvertTrjModuleTest.WorksWithAtomsAndSelection
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision)
@@ -68110,7 +68043,7 @@
 37: 
Reading frame       1 time    0.000   
Last frame          1 time    0.000   
 37: Analyzed 2 frames, last time 0.000
 37: [       OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (1 ms)
-37: [----------] 4 tests from ConvertTrjModuleTest (22 ms total)
+37: [----------] 4 tests from ConvertTrjModuleTest (35 ms total)
 37: 
 37: [----------] 3 tests from DistanceModuleTest
 37: [ RUN      ] DistanceModuleTest.ComputesDistances
@@ -68133,7 +68066,7 @@
 37:   Number of samples:  5
 37:   Average distance:   1.43246  nm
 37:   Standard deviation: 0.96700  nm
-37: [       OK ] DistanceModuleTest.ComputesDistances (3 ms)
+37: [       OK ] DistanceModuleTest.ComputesDistances (2 ms)
 37: [ RUN      ] DistanceModuleTest.ComputesMultipleDistances
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68158,7 +68091,7 @@
 37:   Number of samples:  4
 37:   Average distance:   1.81066  nm
 37:   Standard deviation: 0.79289  nm
-37: [       OK ] DistanceModuleTest.ComputesMultipleDistances (3 ms)
+37: [       OK ] DistanceModuleTest.ComputesMultipleDistances (10 ms)
 37: [ RUN      ] DistanceModuleTest.HandlesDynamicSelections
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68179,8 +68112,8 @@
 37:   Number of samples:  3
 37:   Average distance:   1.72076  nm
 37:   Standard deviation: 1.24839  nm
-37: [       OK ] DistanceModuleTest.HandlesDynamicSelections (2 ms)
-37: [----------] 3 tests from DistanceModuleTest (8 ms total)
+37: [       OK ] DistanceModuleTest.HandlesDynamicSelections (6 ms)
+37: [----------] 3 tests from DistanceModuleTest (18 ms total)
 37: 
 37: [----------] 2 tests from ExtractClusterModuleTest
 37: [ RUN      ] ExtractClusterModuleTest.WorksWithAllAtoms
@@ -68188,13 +68121,13 @@
 37: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.002   
Reading frame       2 time    0.004   
Reading frame       3 time    0.006   
Reading frame       4 time    0.008   
Reading frame       5 time    0.010   
Reading frame       6 time    0.012   
Reading frame       7 time    0.014   
Reading frame       8 time    0.016   
Reading frame       9 time    0.018   
Reading frame      10 time    0.020   
Reading frame      11 time    0.022   
Reading frame      12 time    0.024   
Reading frame      13 time    0.026   
Reading frame      14 time    0.028   
Reading frame      15 time    0.030   
Reading frame      16 time    0.032   
Reading frame      17 time    0.034   
Reading frame      18 time    0.036   
Reading frame      19 time    0.038   
Reading frame      20 time    0.040   
 37: Analyzed 26 frames, last time 0.050
 37: There are 8 clusters containing 26 structures, highest framenr is 25
-37: [       OK ] ExtractClusterModuleTest.WorksWithAllAtoms (2 ms)
+37: [       OK ] ExtractClusterModuleTest.WorksWithAllAtoms (1 ms)
 37: [ RUN      ] ExtractClusterModuleTest.WorksWithAtomSubset
 37: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.002   
Reading frame       2 time    0.004   
Reading frame       3 time    0.006   
Reading frame       4 time    0.008   
Reading frame       5 time    0.010   
Reading frame       6 time    0.012   
Reading frame       7 time    0.014   
Reading frame       8 time    0.016   
Reading frame       9 time    0.018   
Reading frame      10 time    0.020   
Reading frame      11 time    0.022   
Reading frame      12 time    0.024   
Reading frame      13 time    0.026   
Reading frame      14 time    0.028   
Reading frame      15 time    0.030   
Reading frame      16 time    0.032   
Reading frame      17 time    0.034   
Reading frame      18 time    0.036   
Reading frame      19 time    0.038   
Reading frame      20 time    0.040   
 37: Analyzed 26 frames, last time 0.050
 37: There are 8 clusters containing 26 structures, highest framenr is 25
 37: [       OK ] ExtractClusterModuleTest.WorksWithAtomSubset (1 ms)
-37: [----------] 2 tests from ExtractClusterModuleTest (3 ms total)
+37: [----------] 2 tests from ExtractClusterModuleTest (2 ms total)
 37: 
 37: [----------] 2 tests from FreeVolumeModuleTest
 37: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolume
@@ -68258,7 +68191,7 @@
 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 37: Molecular van der Waals volume assuming homogeneity:  0.1256 +/- 0.0000 nm^3
 37: Fractional free volume 0.194 +/- 0.000
-37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (56 ms)
+37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolume (118 ms)
 37: [ RUN      ] FreeVolumeModuleTest.ComputesFreeVolumeSelection
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
 37: Reading file /build/reproducible-path/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision)
@@ -68310,8 +68243,8 @@
 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3
 37: Molecular van der Waals volume assuming homogeneity:  0.1247 +/- 0.0000 nm^3
 37: Fractional free volume 0.200 +/- 0.000
-37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (49 ms)
-37: [----------] 2 tests from FreeVolumeModuleTest (105 ms total)
+37: [       OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (52 ms)
+37: [----------] 2 tests from FreeVolumeModuleTest (170 ms total)
 37: 
 37: [----------] 9 tests from PairDistanceModuleTest
 37: [ RUN      ] PairDistanceModuleTest.ComputesAllDistances
@@ -68330,7 +68263,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesAllDistances (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesAllDistances (3 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68347,7 +68280,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff (1 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68364,7 +68297,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (1 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (2 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesMaxDistance
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68381,7 +68314,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesMaxDistance (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesMaxDistance (1 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68398,7 +68331,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff (5 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68415,7 +68348,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff (1 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff (2 ms)
 37: [ RUN      ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68432,7 +68365,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff (2 ms)
+37: [       OK ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff (1 ms)
 37: [ RUN      ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68449,7 +68382,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (1 ms)
+37: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (3 ms)
 37: [ RUN      ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68467,7 +68400,7 @@
 37:          files if necessary.
 37: 
 37: [       OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (2 ms)
-37: [----------] 9 tests from PairDistanceModuleTest (15 ms total)
+37: [----------] 9 tests from PairDistanceModuleTest (20 ms total)
 37: 
 37: [----------] 5 tests from RdfModuleTest
 37: [ RUN      ] RdfModuleTest.BasicTest
@@ -68486,12 +68419,12 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.BasicTest (13 ms)
+37: [       OK ] RdfModuleTest.BasicTest (15 ms)
 37: [ RUN      ] RdfModuleTest.SelectionsSolelyFromIndexFileWork
 37: Reading frames from gro file '216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984', 648 atoms.
 37: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 37: Analyzed 1 frames, last time 0.000
-37: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (9 ms)
+37: [       OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (10 ms)
 37: [ RUN      ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68508,7 +68441,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (13 ms)
+37: [       OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (14 ms)
 37: [ RUN      ] RdfModuleTest.CalculatesSurf
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68525,7 +68458,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.CalculatesSurf (8 ms)
+37: [       OK ] RdfModuleTest.CalculatesSurf (9 ms)
 37: [ RUN      ] RdfModuleTest.CalculatesXY
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68542,8 +68475,8 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] RdfModuleTest.CalculatesXY (15 ms)
-37: [----------] 5 tests from RdfModuleTest (58 ms total)
+37: [       OK ] RdfModuleTest.CalculatesXY (16 ms)
+37: [----------] 5 tests from RdfModuleTest (64 ms total)
 37: 
 37: [----------] 5 tests from SasaModuleTest
 37: [ RUN      ] SasaModuleTest.BasicTest
@@ -68590,7 +68523,7 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.BasicTest (6 ms)
+37: [       OK ] SasaModuleTest.BasicTest (7 ms)
 37: [ RUN      ] SasaModuleTest.HandlesSelectedResidues
 37: 
 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -68635,7 +68568,7 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.HandlesSelectedResidues (4 ms)
+37: [       OK ] SasaModuleTest.HandlesSelectedResidues (6 ms)
 37: [ RUN      ] SasaModuleTest.WritesConnollySurfaceWithSolute
 37: 
 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -68680,7 +68613,7 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (3 ms)
+37: [       OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (4 ms)
 37: [ RUN      ] SasaModuleTest.HandlesDynamicOutputGroup
 37: 
 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
@@ -68770,8 +68703,8 @@
 37:          you providing a run input file.
 37: 
 37: Analyzed topology coordinates
-37: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (5 ms)
-37: [----------] 5 tests from SasaModuleTest (24 ms total)
+37: [       OK ] SasaModuleTest.HandlesDynamicCalculationGroup (6 ms)
+37: [----------] 5 tests from SasaModuleTest (29 ms total)
 37: 
 37: [----------] 8 tests from SelectModuleTest
 37: [ RUN      ] SelectModuleTest.BasicTest
@@ -68811,7 +68744,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (2 ms)
+37: [       OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (3 ms)
 37: [ RUN      ] SelectModuleTest.HandlesPDBOutputWithPDBInput
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -68830,7 +68763,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (2 ms)
+37: [       OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (3 ms)
 37: [ RUN      ] SelectModuleTest.HandlesMaxPDBOutput
 37: Reading frames from gro file 'Test system', 15 atoms.
 37: 
Reading frame       0 time    0.000   
@@ -68868,7 +68801,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (2 ms)
+37: [       OK ] SelectModuleTest.HandlesSelectedPDBOutput (3 ms)
 37: [ RUN      ] SelectModuleTest.NormalizesSizes
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68902,7 +68835,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.WritesResidueNumbers (1 ms)
+37: [       OK ] SelectModuleTest.WritesResidueNumbers (2 ms)
 37: [ RUN      ] SelectModuleTest.WritesResidueIndices
 37: 
 37: WARNING: If there are molecules in the input trajectory file
@@ -68919,16 +68852,16 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] SelectModuleTest.WritesResidueIndices (2 ms)
-37: [----------] 8 tests from SelectModuleTest (16 ms total)
+37: [       OK ] SelectModuleTest.WritesResidueIndices (1 ms)
+37: [----------] 8 tests from SelectModuleTest (19 ms total)
 37: 
 37: [----------] 10 tests from SurfaceAreaTest
 37: [ RUN      ] SurfaceAreaTest.ComputesSinglePoint
 37: [       OK ] SurfaceAreaTest.ComputesSinglePoint (0 ms)
 37: [ RUN      ] SurfaceAreaTest.ComputesTwoPoints
-37: [       OK ] SurfaceAreaTest.ComputesTwoPoints (0 ms)
+37: [       OK ] SurfaceAreaTest.ComputesTwoPoints (1 ms)
 37: [ RUN      ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius
-37: [       OK ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius (1 ms)
+37: [       OK ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius (0 ms)
 37: [ RUN      ] SurfaceAreaTest.SurfacePoints12
 37: [       OK ] SurfaceAreaTest.SurfacePoints12 (0 ms)
 37: [ RUN      ] SurfaceAreaTest.SurfacePoints32
@@ -68942,12 +68875,12 @@
 37: [ RUN      ] SurfaceAreaTest.Computes100PointsWithRectangularPBC
 37: [       OK ] SurfaceAreaTest.Computes100PointsWithRectangularPBC (1 ms)
 37: [ RUN      ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC
-37: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (1 ms)
-37: [----------] 10 tests from SurfaceAreaTest (4 ms total)
+37: [       OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (2 ms)
+37: [----------] 10 tests from SurfaceAreaTest (6 ms total)
 37: 
 37: [----------] 4 tests from TopologyInformation
 37: [ RUN      ] TopologyInformation.CantWorkWithoutReadingAFile
-37: [       OK ] TopologyInformation.CantWorkWithoutReadingAFile (1 ms)
+37: [       OK ] TopologyInformation.CantWorkWithoutReadingAFile (0 ms)
 37: [ RUN      ] TopologyInformation.WorksWithGroFile
 37: 
 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -68957,7 +68890,7 @@
 37:          and radius of the atom type. Please check the output
 37:          files if necessary.
 37: 
-37: [       OK ] TopologyInformation.WorksWithGroFile (1 ms)
+37: [       OK ] TopologyInformation.WorksWithGroFile (2 ms)
 37: [ RUN      ] TopologyInformation.WorksWithPdbFile
 37: 
 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed
@@ -68974,7 +68907,7 @@
 37:   For a correct single-point energy evaluation with nsteps = 0, use
 37:   continuation = yes to avoid constraining the input coordinates.
 37: 
-37: Setting the LD random seed to -275400714
+37: Setting the LD random seed to -538448145
 37: Generated 330891 of the 330891 non-bonded parameter combinations
 37: Generating 1-4 interactions: fudge = 0.5
 37: Generated 330891 of the 330891 1-4 parameter combinations
@@ -69008,8 +68941,8 @@
 37: There are:    10    Protein residues
 37: Analysing Protein...
 37: This run will generate roughly 0 Mb of data
-37: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (278 ms)
-37: [----------] 4 tests from TopologyInformation (282 ms total)
+37: [       OK ] TopologyInformation.WorksWithTprFromPdbFile (316 ms)
+37: [----------] 4 tests from TopologyInformation (320 ms total)
 37: 
 37: [----------] 4 tests from TrajectoryModuleTest
 37: [ RUN      ] TrajectoryModuleTest.BasicTest
@@ -69109,9 +69042,9 @@
 37: [----------] 1 test from MappedUnionFinderTest (0 ms total)
 37: 
 37: [----------] Global test environment tear-down
-37: [==========] 82 tests from 16 test cases ran. (603 ms total)
+37: [==========] 82 tests from 16 test cases ran. (744 ms total)
 37: [  PASSED  ] 82 tests.
-37/54 Test #37: TrajectoryAnalysisUnitTests .........   Passed    0.63 sec
+37/54 Test #37: TrajectoryAnalysisUnitTests .........   Passed    0.78 sec
 test 38
       Start 38: EnergyAnalysisUnitTests
 
@@ -69128,8 +69061,8 @@
 38: 
 38: 
 38: Wrote 8 lambda values with 101 samples as 808 dH data blocks to /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary/DhdlTest_ExtractDhdl_dhdl.xvg
-38: [       OK ] DhdlTest.ExtractDhdl (5 ms)
-38: [----------] 1 test from DhdlTest (5 ms total)
+38: [       OK ] DhdlTest.ExtractDhdl (7 ms)
+38: [----------] 1 test from DhdlTest (7 ms total)
 38: 
 38: [----------] 1 test from OriresTest
 38: [ RUN      ] OriresTest.ExtractOrires
@@ -69140,8 +69073,8 @@
 38: End your selection with 0
 38: Selecting all 7 orientation restraints
 38: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Reading energy frame      2 time    0.004         
Reading energy frame      3 time    0.006         
Reading energy frame      4 time    0.008         
Reading energy frame      5 time    0.010         
Reading energy frame      6 time    0.012         
Reading energy frame      7 time    0.014         
Reading energy frame      8 time    0.016         
Reading energy frame      9 time    0.018         
Reading energy frame     10 time    0.020         
Last energy frame read 10 time    0.020         
-38: [       OK ] OriresTest.ExtractOrires (7 ms)
-38: [----------] 1 test from OriresTest (7 ms total)
+38: [       OK ] OriresTest.ExtractOrires (8 ms)
+38: [----------] 1 test from OriresTest (8 ms total)
 38: 
 38: [----------] 3 tests from EnergyTest
 38: [ RUN      ] EnergyTest.ExtractEnergy
@@ -69231,7 +69164,7 @@
 38: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
 38: Box-Z                       2.92457     0.0054  0.0151558  0.0234974  (nm)
 38: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
-38: [       OK ] EnergyTest.ExtractEnergyMixed (1 ms)
+38: [       OK ] EnergyTest.ExtractEnergyMixed (2 ms)
 38: [----------] 3 tests from EnergyTest (4 ms total)
 38: 
 38: [----------] 2 tests from ViscosityTest
@@ -69256,7 +69189,7 @@
 38: Temperature                 300.001       0.02     5.8425 -0.0130558  (K)
 38: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
 38: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
-38: [       OK ] ViscosityTest.EinsteinViscosity (22 ms)
+38: [       OK ] ViscosityTest.EinsteinViscosity (33 ms)
 38: [ RUN      ] ViscosityTest.EinsteinViscosityIntegral
 38: Opened /build/reproducible-path/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file
 38: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.200         
Reading energy frame      2 time    0.400         
Reading energy frame      3 time    0.600         
Reading energy frame      4 time    0.800         
Reading energy frame      5 time    1.000         
Reading energy frame      6 time    1.200         
Reading energy frame      7 time    1.400         
Reading energy frame      8 time    1.600         
Reading energy frame      9 time    1.800         
Reading energy frame     10 time    2.000         
Reading energy frame     11 time    2.200         
Reading energy frame     12 time    2.400         
Reading energy frame     13 time    2.600         
Reading energy frame     14 time    2.800         
Reading energy frame     15 time    3.000         
Reading energy frame     16 time    3.200         
Reading energy frame     17 time    3.400         
Reading energy frame     18 time    3.600         
Reading energy frame     19 time    3.800         
Reading energy frame     20 time    4.000         
Reading energy frame     30 time    6.000         
Reading energy frame     40 time    8.000         
Reading energy frame     50 time   10.000         
Last energy frame read 50 time   10.000         
@@ -69278,13 +69211,13 @@
 38: Temperature                 300.001       0.02     5.8425 -0.0130558  (K)
 38: Volume                      25.0162       0.14   0.386769   0.598615  (nm^3)
 38: Pressure                    5.34371        4.1    605.307   -4.88771  (bar)
-38: [       OK ] ViscosityTest.EinsteinViscosityIntegral (21 ms)
-38: [----------] 2 tests from ViscosityTest (44 ms total)
+38: [       OK ] ViscosityTest.EinsteinViscosityIntegral (27 ms)
+38: [----------] 2 tests from ViscosityTest (60 ms total)
 38: 
 38: [----------] Global test environment tear-down
-38: [==========] 7 tests from 4 test cases ran. (60 ms total)
+38: [==========] 7 tests from 4 test cases ran. (79 ms total)
 38: [  PASSED  ] 7 tests.
-38/54 Test #38: EnergyAnalysisUnitTests .............   Passed    0.07 sec
+38/54 Test #38: EnergyAnalysisUnitTests .............   Passed    0.09 sec
 test 39
       Start 39: ToolUnitTests
 
@@ -69298,7 +69231,7 @@
 39:   For a correct single-point energy evaluation with nsteps = 0, use
 39:   continuation = yes to avoid constraining the input coordinates.
 39: 
-39: Setting the LD random seed to -1094976137
+39: Setting the LD random seed to -276979713
 39: Generated 330891 of the 330891 non-bonded parameter combinations
 39: Generating 1-4 interactions: fudge = 0.5
 39: Generated 330891 of the 330891 1-4 parameter combinations
@@ -69344,7 +69277,7 @@
 39:    comm-mode                      = Linear
 39:    nstcomm                        = 100
 39:    bd-fric                        = 0
-39:    ld-seed                        = -1094976137
+39:    ld-seed                        = -276979713
 39:    emtol                          = 10
 39:    emstep                         = 0.01
 39:    niter                          = 20
@@ -72261,12 +72194,12 @@
 39: Compressed X:     156  (total 156 atoms)
 39: Or. Res. Fit:     156  (total 156 atoms)
 39: QMMM        :     156  (total 156 atoms)
-39: [       OK ] DumpTest.WorksWithTpr (68 ms)
+39: [       OK ] DumpTest.WorksWithTpr (18 ms)
 39: [ RUN      ] DumpTest.WorksWithTprAndMdpWriting
 39: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 39: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 39: [       OK ] DumpTest.WorksWithTprAndMdpWriting (1 ms)
-39: [----------] 2 tests from DumpTest (69 ms total)
+39: [----------] 2 tests from DumpTest (19 ms total)
 39: 
 39: [----------] 4 tests from ReportMethodsTest
 39: 
@@ -72274,7 +72207,7 @@
 39:   For a correct single-point energy evaluation with nsteps = 0, use
 39:   continuation = yes to avoid constraining the input coordinates.
 39: 
-39: Setting the LD random seed to 1977514495
+39: Setting the LD random seed to -1641382401
 39: Generated 330891 of the 330891 non-bonded parameter combinations
 39: Generating 1-4 interactions: fudge = 0.5
 39: Generated 330891 of the 330891 1-4 parameter combinations
@@ -72353,7 +72286,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/1 (1 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/1 (13 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/2
 39: Will write tng: Trajectory file (tng format)
 39: Group     0 (         System) has     6 elements
@@ -72403,8 +72336,8 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/5 (0 ms)
-39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset (6 ms total)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/5 (1 ms)
+39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset (18 ms total)
 39: 
 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0
@@ -72417,7 +72350,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 (0 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 (1 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1
 39: Will write trr: Trajectory in portable xdr format
 39: Group     0 (         System) has     6 elements
@@ -72455,7 +72388,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/3 (1 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/3 (0 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4
 39: Will write trr: Trajectory in portable xdr format
 39: Group     0 (         System) has     6 elements
@@ -72469,7 +72402,7 @@
 39: Note that major changes are planned in future for trjconv, to improve usability and utility.
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
-39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 (0 ms)
+39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 (1 ms)
 39: [ RUN      ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5
 39: Will write trr: Trajectory in portable xdr format
 39: Group     0 (         System) has     6 elements
@@ -72481,12 +72414,12 @@
 39: Select group for output
 39: Selected 2: 'SecondWaterMolecule'
 39: [       OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5 (0 ms)
-39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile (1 ms total)
+39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile (2 ms total)
 39: 
 39: [----------] Global test environment tear-down
-39: [==========] 18 tests from 4 test cases ran. (670 ms total)
+39: [==========] 18 tests from 4 test cases ran. (1446 ms total)
 39: [  PASSED  ] 18 tests.
-39/54 Test #39: ToolUnitTests .......................   Passed    0.69 sec
+39/54 Test #39: ToolUnitTests .......................   Passed    1.48 sec
 test 40
       Start 40: FileIOTests
 
@@ -72496,10 +72429,10 @@
 40: [----------] Global test environment set-up.
 40: [----------] 2 tests from FileMD5Test
 40: [ RUN      ] FileMD5Test.CanComputeMD5
-40: [       OK ] FileMD5Test.CanComputeMD5 (1 ms)
+40: [       OK ] FileMD5Test.CanComputeMD5 (9 ms)
 40: [ RUN      ] FileMD5Test.ReturnsErrorIfFileModeIsWrong
 40: [       OK ] FileMD5Test.ReturnsErrorIfFileModeIsWrong (0 ms)
-40: [----------] 2 tests from FileMD5Test (1 ms total)
+40: [----------] 2 tests from FileMD5Test (9 ms total)
 40: 
 40: [----------] 3 tests from MrcSerializer
 40: [ RUN      ] MrcSerializer.DefaultHeaderValuesAreSet
@@ -72519,7 +72452,7 @@
 40: [       OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms)
 40: [ RUN      ] MrcDensityMap.ReadsDensityDataFromFile
 40: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (0 ms)
-40: [----------] 4 tests from MrcDensityMap (1 ms total)
+40: [----------] 4 tests from MrcDensityMap (2 ms total)
 40: 
 40: [----------] 8 tests from MrcDensityMapHeaderTest
 40: [ RUN      ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader
@@ -72529,7 +72462,7 @@
 40: [ RUN      ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid
 40: [       OK ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid (0 ms)
 40: [ RUN      ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven
-40: [       OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven (1 ms)
+40: [       OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven (0 ms)
 40: [ RUN      ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined
 40: [       OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined (0 ms)
 40: [ RUN      ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues
@@ -72538,7 +72471,7 @@
 40: [       OK ] MrcDensityMapHeaderTest.GetsCorrectExtents (0 ms)
 40: [ RUN      ] MrcDensityMapHeaderTest.IsSane
 40: [       OK ] MrcDensityMapHeaderTest.IsSane (0 ms)
-40: [----------] 8 tests from MrcDensityMapHeaderTest (1 ms total)
+40: [----------] 8 tests from MrcDensityMapHeaderTest (0 ms total)
 40: 
 40: [----------] 9 tests from ReadTest
 40: [ RUN      ] ReadTest.get_eint_ReadsInteger
@@ -72613,13 +72546,13 @@
 40: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2
 40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (1 ms)
 40: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3
-40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (0 ms)
-40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (1 ms total)
+40: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (4 ms)
+40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (5 ms total)
 40: 
 40: [----------] Global test environment tear-down
-40: [==========] 33 tests from 8 test cases ran. (4 ms total)
+40: [==========] 33 tests from 8 test cases ran. (16 ms total)
 40: [  PASSED  ] 33 tests.
-40/54 Test #40: FileIOTests .........................   Passed    0.01 sec
+40/54 Test #40: FileIOTests .........................   Passed    0.04 sec
 test 41
       Start 41: SelectionUnitTests
 
@@ -72634,11 +72567,11 @@
 41: 
 41: [----------] 15 tests from IndexBlockTest
 41: [ RUN      ] IndexBlockTest.CreatesUnknownBlock
-41: [       OK ] IndexBlockTest.CreatesUnknownBlock (0 ms)
+41: [       OK ] IndexBlockTest.CreatesUnknownBlock (1 ms)
 41: [ RUN      ] IndexBlockTest.CreatesAtomBlock
 41: [       OK ] IndexBlockTest.CreatesAtomBlock (0 ms)
 41: [ RUN      ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology
-41: [       OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (1 ms)
+41: [       OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (0 ms)
 41: [ RUN      ] IndexBlockTest.CreatesResidueBlocksForComplexTopology
 41: [       OK ] IndexBlockTest.CreatesResidueBlocksForComplexTopology (0 ms)
 41: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology
@@ -72646,7 +72579,7 @@
 41: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology
 41: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (0 ms)
 41: [ RUN      ] IndexBlockTest.CreatesSingleBlock
-41: [       OK ] IndexBlockTest.CreatesSingleBlock (1 ms)
+41: [       OK ] IndexBlockTest.CreatesSingleBlock (0 ms)
 41: [ RUN      ] IndexBlockTest.ChecksGroupForFullBlocksPositive
 41: [       OK ] IndexBlockTest.ChecksGroupForFullBlocksPositive (0 ms)
 41: [ RUN      ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive
@@ -72663,7 +72596,7 @@
 41: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms)
 41: [ RUN      ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative
 41: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms)
-41: [----------] 15 tests from IndexBlockTest (2 ms total)
+41: [----------] 15 tests from IndexBlockTest (1 ms total)
 41: 
 41: [----------] 11 tests from IndexMapTest
 41: [ RUN      ] IndexMapTest.InitializesAtomBlock
@@ -72673,7 +72606,7 @@
 41: [ RUN      ] IndexMapTest.InitializesOrgIdGroupSingle
 41: [       OK ] IndexMapTest.InitializesOrgIdGroupSingle (0 ms)
 41: [ RUN      ] IndexMapTest.InitializesOrgIdGroupResidue
-41: [       OK ] IndexMapTest.InitializesOrgIdGroupResidue (1 ms)
+41: [       OK ] IndexMapTest.InitializesOrgIdGroupResidue (0 ms)
 41: [ RUN      ] IndexMapTest.InitializesOrgIdGroupMolecule
 41: [       OK ] IndexMapTest.InitializesOrgIdGroupMolecule (0 ms)
 41: [ RUN      ] IndexMapTest.InitializesOrgIdGroupAll
@@ -72681,43 +72614,43 @@
 41: [ RUN      ] IndexMapTest.InitializesMoleculeBlock
 41: [       OK ] IndexMapTest.InitializesMoleculeBlock (0 ms)
 41: [ RUN      ] IndexMapTest.MapsSingleBlock
-41: [       OK ] IndexMapTest.MapsSingleBlock (0 ms)
+41: [       OK ] IndexMapTest.MapsSingleBlock (1 ms)
 41: [ RUN      ] IndexMapTest.MapsResidueBlocks
 41: [       OK ] IndexMapTest.MapsResidueBlocks (0 ms)
 41: [ RUN      ] IndexMapTest.MapsResidueBlocksWithMask
 41: [       OK ] IndexMapTest.MapsResidueBlocksWithMask (0 ms)
 41: [ RUN      ] IndexMapTest.HandlesMultipleRequests
-41: [       OK ] IndexMapTest.HandlesMultipleRequests (1 ms)
-41: [----------] 11 tests from IndexMapTest (3 ms total)
+41: [       OK ] IndexMapTest.HandlesMultipleRequests (0 ms)
+41: [----------] 11 tests from IndexMapTest (1 ms total)
 41: 
 41: [----------] 3 tests from IndexGroupsAndNamesTest
 41: [ RUN      ] IndexGroupsAndNamesTest.containsNames
 41: [       OK ] IndexGroupsAndNamesTest.containsNames (0 ms)
 41: [ RUN      ] IndexGroupsAndNamesTest.throwsWhenNameMissing
-41: [       OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (0 ms)
+41: [       OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (1 ms)
 41: [ RUN      ] IndexGroupsAndNamesTest.groupIndicesCorrect
 41: [       OK ] IndexGroupsAndNamesTest.groupIndicesCorrect (0 ms)
-41: [----------] 3 tests from IndexGroupsAndNamesTest (0 ms total)
+41: [----------] 3 tests from IndexGroupsAndNamesTest (2 ms total)
 41: 
 41: [----------] 15 tests from NeighborhoodSearchTest
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSearch
-41: [       OK ] NeighborhoodSearchTest.SimpleSearch (23 ms)
+41: [       OK ] NeighborhoodSearchTest.SimpleSearch (8 ms)
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSearchXY
-41: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (22 ms)
+41: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (9 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchBox
-41: [       OK ] NeighborhoodSearchTest.GridSearchBox (3 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearchBox (2 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchTriclinic
-41: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (8 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (4 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearch2DPBC
-41: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (4 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (2 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchNoPBC
-41: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (2 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (1 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchXYBox
 41: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (2 ms)
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSelfPairsSearch
 41: [       OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSelfPairsSearch
-41: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (30 ms)
+41: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (21 ms)
 41: [ RUN      ] NeighborhoodSearchTest.HandlesConcurrentSearches
 41: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms)
 41: [ RUN      ] NeighborhoodSearchTest.HandlesNoPBC
@@ -72727,16 +72660,16 @@
 41: [ RUN      ] NeighborhoodSearchTest.HandlesSkippingPairs
 41: [       OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms)
 41: [ RUN      ] NeighborhoodSearchTest.SimpleSearchExclusions
-41: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (2 ms)
+41: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (3 ms)
 41: [ RUN      ] NeighborhoodSearchTest.GridSearchExclusions
-41: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (1 ms)
-41: [----------] 15 tests from NeighborhoodSearchTest (97 ms total)
+41: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms)
+41: [----------] 15 tests from NeighborhoodSearchTest (52 ms total)
 41: 
 41: [----------] 12 tests from PositionCalculationTest
 41: [ RUN      ] PositionCalculationTest.ComputesAtomPositions
 41: [       OK ] PositionCalculationTest.ComputesAtomPositions (0 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesResidueCOGPositions
-41: [       OK ] PositionCalculationTest.ComputesResidueCOGPositions (1 ms)
+41: [       OK ] PositionCalculationTest.ComputesResidueCOGPositions (0 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesResidueCOMPositions
 41: [       OK ] PositionCalculationTest.ComputesResidueCOMPositions (0 ms)
 41: [ RUN      ] PositionCalculationTest.ComputesGroupCOGPositions
@@ -72757,33 +72690,33 @@
 41: [       OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms)
 41: [ RUN      ] PositionCalculationTest.HandlesOverlappingStaticCalculations
 41: [       OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms)
-41: [----------] 12 tests from PositionCalculationTest (2 ms total)
+41: [----------] 12 tests from PositionCalculationTest (1 ms total)
 41: 
 41: [----------] 29 tests from SelectionCollectionTest
 41: [ RUN      ] SelectionCollectionTest.HandlesNoSelections
-41: [       OK ] SelectionCollectionTest.HandlesNoSelections (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesNoSelections (1 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType
 41: [       OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesVelocityAndForceRequests
-41: [       OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry
-41: [       OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (1 ms)
 41: [ RUN      ] SelectionCollectionTest.ParsesSelectionsFromFile
 41: [       OK ] SelectionCollectionTest.ParsesSelectionsFromFile (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesAtypicalWhitespace
-41: [       OK ] SelectionCollectionTest.HandlesAtypicalWhitespace (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesAtypicalWhitespace (1 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesInvalidRegularExpressions
 41: [       OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue
-41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue2
 41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue3
 41: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1
-41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 (1 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2
-41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (1 ms)
+41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1
 41: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2
@@ -72797,13 +72730,13 @@
 41: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed
 41: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2
-41: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (0 ms)
+41: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (1 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo
 41: [       OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (0 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromMissingAtomTypes
-41: [       OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (1 ms)
+41: [       OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (0 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromMissingPDBInfo
-41: [       OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (0 ms)
+41: [       OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (1 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation
 41: [       OK ] SelectionCollectionTest.RecoversFromInvalidPermutation (0 ms)
 41: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation2
@@ -72818,13 +72751,13 @@
 41: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (0 ms)
 41: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4
 41: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (0 ms)
-41: [----------] 29 tests from SelectionCollectionTest (6 ms total)
+41: [----------] 29 tests from SelectionCollectionTest (8 ms total)
 41: 
 41: [----------] 14 tests from SelectionCollectionInteractiveTest
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesBasicInput
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (1 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesContinuation
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesContinuation (0 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesContinuation (1 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput
@@ -72834,32 +72767,32 @@
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (0 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (1 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (1 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesEmptySelections
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (0 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (1 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput
 41: [       OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms)
 41: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively
-41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (1 ms)
+41: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (0 ms)
 41: [----------] 14 tests from SelectionCollectionInteractiveTest (4 ms total)
 41: 
 41: [----------] 66 tests from SelectionCollectionDataTest
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAllNone
 41: [       OK ] SelectionCollectionDataTest.HandlesAllNone (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAtomnr
-41: [       OK ] SelectionCollectionDataTest.HandlesAtomnr (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesAtomnr (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesResnr
-41: [       OK ] SelectionCollectionDataTest.HandlesResnr (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesResnr (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesResIndex
-41: [       OK ] SelectionCollectionDataTest.HandlesResIndex (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesResIndex (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesMolIndex
 41: [       OK ] SelectionCollectionDataTest.HandlesMolIndex (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesAtomname
@@ -72887,19 +72820,19 @@
 41: [ RUN      ] SelectionCollectionDataTest.HandlesCoordinateKeywords
 41: [       OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesSameResidue
-41: [       OK ] SelectionCollectionDataTest.HandlesSameResidue (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesSameResidue (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesSameResidueName
 41: [       OK ] SelectionCollectionDataTest.HandlesSameResidueName (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionKeywords
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionKeywords (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionKeywords (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesDistanceKeyword
-41: [       OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesMinDistanceKeyword
-41: [       OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesWithinKeyword
 41: [       OK ] SelectionCollectionDataTest.HandlesWithinKeyword (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword
-41: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (2 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (3 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPermuteModifier
 41: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPlusModifier
@@ -72909,15 +72842,15 @@
 41: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndCharges
 41: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology
-41: [       OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (1 ms)
+41: [       OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets
-41: [       OK ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesSelectionNames
 41: [       OK ] SelectionCollectionDataTest.HandlesSelectionNames (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections
-41: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed
-41: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections
 41: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed
@@ -72941,39 +72874,39 @@
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBasicBoolean
 41: [       OK ] SelectionCollectionDataTest.HandlesBasicBoolean (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters
-41: [       OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions
-41: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame
-41: [       OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords
 41: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesKeywordOfPositions
-41: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic
 41: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesNumericComparisons
 41: [       OK ] SelectionCollectionDataTest.HandlesNumericComparisons (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesArithmeticExpressions
-41: [       OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesNumericVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesNumericVariables (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesNumericVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesComplexNumericVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariableInModifier
-41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionInVariable
-41: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables
 41: [       OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis
-41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (1 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables
-41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (0 ms)
+41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (1 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables
 41: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesUnusedVariables
@@ -72984,13 +72917,13 @@
 41: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (0 ms)
 41: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2
 41: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (0 ms)
-41: [----------] 66 tests from SelectionCollectionDataTest (27 ms total)
+41: [----------] 66 tests from SelectionCollectionDataTest (31 ms total)
 41: 
 41: [----------] 17 tests from SelectionOptionTest
 41: [ RUN      ] SelectionOptionTest.ParsesSimpleSelection
-41: [       OK ] SelectionOptionTest.ParsesSimpleSelection (1 ms)
+41: [       OK ] SelectionOptionTest.ParsesSimpleSelection (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired
-41: [       OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (0 ms)
+41: [       OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (1 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired
 41: [       OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (0 ms)
 41: [ RUN      ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired
@@ -72998,15 +72931,15 @@
 41: [ RUN      ] SelectionOptionTest.ChecksEmptySelections
 41: [       OK ] SelectionOptionTest.ChecksEmptySelections (0 ms)
 41: [ RUN      ] SelectionOptionTest.ChecksEmptyDelayedSelections
-41: [       OK ] SelectionOptionTest.ChecksEmptyDelayedSelections (0 ms)
+41: [       OK ] SelectionOptionTest.ChecksEmptyDelayedSelections (1 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesTooManySelections
-41: [       OK ] SelectionOptionTest.HandlesTooManySelections (1 ms)
+41: [       OK ] SelectionOptionTest.HandlesTooManySelections (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesTooFewSelections
 41: [       OK ] SelectionOptionTest.HandlesTooFewSelections (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDefaultSelectionText
 41: [       OK ] SelectionOptionTest.HandlesDefaultSelectionText (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesAdjuster
-41: [       OK ] SelectionOptionTest.HandlesAdjuster (0 ms)
+41: [       OK ] SelectionOptionTest.HandlesAdjuster (1 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster
 41: [       OK ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster
@@ -73014,14 +72947,14 @@
 41: [ RUN      ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster
 41: [       OK ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDelayedRequiredSelection
-41: [       OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (1 ms)
+41: [       OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections
-41: [       OK ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections (0 ms)
+41: [       OK ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections (1 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDelayedOptionalSelection
 41: [       OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms)
 41: [ RUN      ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster
 41: [       OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms)
-41: [----------] 17 tests from SelectionOptionTest (3 ms total)
+41: [----------] 17 tests from SelectionOptionTest (4 ms total)
 41: 
 41: [----------] 9 tests from SelectionFileOptionTest
 41: [ RUN      ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile
@@ -73031,9 +72964,9 @@
 41: [ RUN      ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile
 41: [       OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.HandlesRequiredOptionFromFile
-41: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (1 ms)
+41: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet
-41: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (0 ms)
+41: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (1 ms)
 41: [ RUN      ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile
 41: [       OK ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile (0 ms)
 41: [ RUN      ] SelectionFileOptionTest.GivesErrorWithNoFile
@@ -73045,9 +72978,9 @@
 41: [----------] 9 tests from SelectionFileOptionTest (1 ms total)
 41: 
 41: [----------] Global test environment tear-down
-41: [==========] 192 tests from 11 test cases ran. (145 ms total)
+41: [==========] 192 tests from 11 test cases ran. (105 ms total)
 41: [  PASSED  ] 192 tests.
-41/54 Test #41: SelectionUnitTests ..................   Passed    0.17 sec
+41/54 Test #41: SelectionUnitTests ..................   Passed    0.13 sec
 test 42
       Start 42: MdrunOutputTests
 
@@ -73057,12 +72990,12 @@
 42: [----------] Global test environment set-up.
 42: [----------] 1 test from MdrunTest
 42: [ RUN      ] MdrunTest.WritesHelp
-42: [       OK ] MdrunTest.WritesHelp (3 ms)
-42: [----------] 1 test from MdrunTest (3 ms total)
+42: [       OK ] MdrunTest.WritesHelp (1 ms)
+42: [----------] 1 test from MdrunTest (1 ms total)
 42: 
 42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput
 42: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0
-42: Setting the LD random seed to 262904831
+42: Setting the LD random seed to -201326913
 42: Generated 3 of the 3 non-bonded parameter combinations
 42: Generating 1-4 interactions: fudge = 0.5
 42: Generated 3 of the 3 1-4 parameter combinations
@@ -73100,9 +73033,9 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.005        0.003      195.3
+42:        Time:        0.064        0.032      199.7
 42:                  (ns/day)    (hour/ns)
-42: Performance:       65.055        0.369
+42: Performance:        5.429        4.421
 42: 
Reading frame       0 time    0.000   
 42: # Atoms  6
 42: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -73117,9 +73050,9 @@
 42: Forces           0
 42: Box              2    0.001
 42: Checking file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.xtc
-42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (29 ms)
+42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (140 ms)
 42: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1
-42: Setting the LD random seed to -209815553
+42: Setting the LD random seed to -346032403
 42: Generated 3 of the 3 non-bonded parameter combinations
 42: Generating 1-4 interactions: fudge = 0.5
 42: Generated 3 of the 3 1-4 parameter combinations
@@ -73157,9 +73090,9 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.002        0.001      187.8
+42:        Time:        0.056        0.028      199.6
 42:                  (ns/day)    (hour/ns)
-42: Performance:      179.222        0.134
+42: Performance:        6.173        3.888
 42: 
Reading frame       0 time    0.000   
 42: # Atoms  6
 42: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -73174,9 +73107,9 @@
 42: Forces           0
 42: Box              2    0.001
 42: Checking file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.xtc
-42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (9 ms)
+42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (68 ms)
 42: [ RUN      ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2
-42: Setting the LD random seed to -536941610
+42: Setting the LD random seed to 2080356093
 42: Generated 3 of the 3 non-bonded parameter combinations
 42: Generating 1-4 interactions: fudge = 0.5
 42: Generated 3 of the 3 1-4 parameter combinations
@@ -73213,10 +73146,13 @@
 42: 
 42: Writing final coordinates.
 42: 
+42: NOTE: 11 % of the run time was spent in pair search,
+42:       you might want to increase nstlist (this has no effect on accuracy)
+42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.001        0.001      186.5
+42:        Time:        0.030        0.015      199.4
 42:                  (ns/day)    (hour/ns)
-42: Performance:      235.317        0.102
+42: Performance:       11.580        2.073
 42: 
Reading frame       0 time    0.000   
 42: # Atoms  3
 42: 
Reading frame       1 time    0.001   
Last frame          1 time    0.001   
@@ -73231,8 +73167,8 @@
 42: Forces           0
 42: Box              2    0.001
 42: Checking file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.xtc
-42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (8 ms)
-42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (46 ms total)
+42: [       OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (29 ms)
+42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (237 ms total)
 42: 
 42: [----------] 2 tests from Argon12/OutputFiles
 42: [ RUN      ] Argon12/OutputFiles.FilesArePresent/0
@@ -73275,10 +73211,10 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.002        0.001      191.9
+42:        Time:        0.140        0.070      199.9
 42:                  (ns/day)    (hour/ns)
-42: Performance:     1294.242        0.019
-42: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (8 ms)
+42: Performance:       21.034        1.141
+42: [       OK ] Argon12/OutputFiles.FilesArePresent/0 (87 ms)
 42: [ RUN      ] Argon12/OutputFiles.FilesArePresent/1
 42: 
 42: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]:
@@ -73319,15 +73255,15 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.002        0.001      180.4
+42:        Time:        0.129        0.065      199.6
 42:                  (ns/day)    (hour/ns)
-42: Performance:     1144.029        0.021
-42: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (7 ms)
-42: [----------] 2 tests from Argon12/OutputFiles (15 ms total)
+42: Performance:       22.687        1.058
+42: [       OK ] Argon12/OutputFiles.FilesArePresent/1 (72 ms)
+42: [----------] 2 tests from Argon12/OutputFiles (159 ms total)
 42: 
 42: [----------] 3 tests from MdrunCanWrite/Trajectories
 42: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0
-42: Setting the LD random seed to -1778393353
+42: Setting the LD random seed to -1342185557
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -73360,12 +73296,12 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.008        0.004      197.4
+42:        Time:        0.067        0.034      199.7
 42:                  (ns/day)    (hour/ns)
-42: Performance:      148.729        0.161
-42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (12 ms)
+42: Performance:       18.042        1.330
+42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (43 ms)
 42: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1
-42: Setting the LD random seed to -538379313
+42: Setting the LD random seed to -52443265
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -73398,12 +73334,12 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.005        0.003      196.5
+42:        Time:        0.066        0.033      199.8
 42:                  (ns/day)    (hour/ns)
-42: Performance:      219.079        0.110
-42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (10 ms)
+42: Performance:       18.307        1.311
+42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (43 ms)
 42: [ RUN      ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2
-42: Setting the LD random seed to -58724354
+42: Setting the LD random seed to -69206289
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -73436,15 +73372,15 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.004        0.002      195.4
+42:        Time:        0.065        0.032      199.7
 42:                  (ns/day)    (hour/ns)
-42: Performance:      286.182        0.084
-42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (8 ms)
-42: [----------] 3 tests from MdrunCanWrite/Trajectories (30 ms total)
+42: Performance:       18.695        1.284
+42: [       OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (42 ms)
+42: [----------] 3 tests from MdrunCanWrite/Trajectories (128 ms total)
 42: 
 42: [----------] 3 tests from MdrunCanWrite/NptTrajectories
 42: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0
-42: Setting the LD random seed to -100829317
+42: Setting the LD random seed to -10750073
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -73477,12 +73413,12 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.002        0.001      190.7
+42:        Time:        0.034        0.017      199.5
 42:                  (ns/day)    (hour/ns)
-42: Performance:      261.086        0.092
-42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (7 ms)
+42: Performance:       15.105        1.589
+42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (27 ms)
 42: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1
-42: Setting the LD random seed to -134667798
+42: Setting the LD random seed to -407473737
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -73515,12 +73451,12 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.002        0.001      190.1
+42:        Time:        0.034        0.017      199.5
 42:                  (ns/day)    (hour/ns)
-42: Performance:      259.404        0.093
-42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (8 ms)
+42: Performance:       15.229        1.576
+42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (27 ms)
 42: [ RUN      ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2
-42: Setting the LD random seed to -84510857
+42: Setting the LD random seed to 1475583927
 42: Generated 8 of the 10 non-bonded parameter combinations
 42: Excluding 2 bonded neighbours molecule type 'Methanol'
 42: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -73553,16 +73489,16 @@
 42: Writing final coordinates.
 42: 
 42:                Core t (s)   Wall t (s)        (%)
-42:        Time:        0.002        0.001      190.4
+42:        Time:        0.034        0.017      199.5
 42:                  (ns/day)    (hour/ns)
-42: Performance:      208.669        0.115
-42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (12 ms)
-42: [----------] 3 tests from MdrunCanWrite/NptTrajectories (27 ms total)
+42: Performance:       15.201        1.579
+42: [       OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (27 ms)
+42: [----------] 3 tests from MdrunCanWrite/NptTrajectories (81 ms total)
 42: 
 42: [----------] Global test environment tear-down
-42: [==========] 12 tests from 5 test cases ran. (121 ms total)
+42: [==========] 12 tests from 5 test cases ran. (606 ms total)
 42: [  PASSED  ] 12 tests.
-42/54 Test #42: MdrunOutputTests ....................   Passed    0.14 sec
+42/54 Test #42: MdrunOutputTests ....................   Passed    0.62 sec
 test 43
       Start 43: MdrunModulesTests
 
@@ -73572,7 +73508,7 @@
 43: [----------] Global test environment set-up.
 43: [----------] 4 tests from DensityFittingTest
 43: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct
-43: Setting the LD random seed to 1610612650
+43: Setting the LD random seed to -1637516313
 43: Generated 1 of the 1 non-bonded parameter combinations
 43: Excluding 1 bonded neighbours molecule type 'Argon'
 43: Number of degrees of freedom in T-Coupling group rest is 33.00
@@ -73599,9 +73535,9 @@
 43: Norm of force     =  1.07544474716821e+03
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.edr as double precision energy file
 43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         This run will generate roughly 0 Mb of data
-43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (27 ms)
+43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (98 ms)
 43: [ RUN      ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy
-43: Setting the LD random seed to -603982405
+43: Setting the LD random seed to 1073608174
 43: Generated 1 of the 1 non-bonded parameter combinations
 43: Excluding 1 bonded neighbours molecule type 'Argon'
 43: Number of degrees of freedom in T-Coupling group rest is 33.00
@@ -73628,17 +73564,17 @@
 43: Norm of force     =  1.25497916247247e+03
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.edr as double precision energy file
 43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Last energy frame read 2 time    2.000         This run will generate roughly 0 Mb of data
-43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (8 ms)
+43: [       OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (48 ms)
 43: [ RUN      ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch
 43: 
 43: [WARNING] /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/src/gtest-death-test.cc:836:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads.
-43: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (7 ms)
+43: [       OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (16 ms)
 43: [ RUN      ] DensityFittingTest.CheckpointWorks
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]:
 43:   Setting nstcalcenergy (100) equal to nstenergy (2)
 43: 
-43: Setting the LD random seed to -335635478
+43: Setting the LD random seed to -188545
 43: Generated 1 of the 1 non-bonded parameter combinations
 43: Excluding 1 bonded neighbours molecule type 'Argon'
 43: Number of degrees of freedom in T-Coupling group rest is 33.00
@@ -73667,10 +73603,13 @@
 43: 
 43: Writing final coordinates.
 43: 
+43: NOTE: 12 % of the run time was spent in pair search,
+43:       you might want to increase nstlist (this has no effect on accuracy)
+43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.005        0.002      194.7
+43:        Time:        0.464        0.232      200.0
 43:                  (ns/day)    (hour/ns)
-43: Performance:      109.948        0.218
+43: Performance:        1.117       21.487
 43: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 43: Overriding nsteps with value passed on the command line: 4 steps, 0.004 ps
 43: Can not increase nstlist because an NVE ensemble is used
@@ -73686,13 +73625,16 @@
 43: 
 43: Writing final coordinates.
 43: 
+43: NOTE: 24 % of the run time was spent in pair search,
+43:       you might want to increase nstlist (this has no effect on accuracy)
+43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.002        0.001      187.5
+43:        Time:        0.264        0.132      199.9
 43:                  (ns/day)    (hour/ns)
-43: Performance:      509.401        0.047
+43: Performance:        3.271        7.337
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.edr as double precision energy file
-43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (15 ms)
-43: [----------] 4 tests from DensityFittingTest (57 ms total)
+43: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.002         
Last energy frame read 1 time    0.002         [       OK ] DensityFittingTest.CheckpointWorks (448 ms)
+43: [----------] 4 tests from DensityFittingTest (610 ms total)
 43: 
 43: [----------] 4 tests from MimicTest
 43: [ RUN      ] MimicTest.OneQuantumMol
@@ -73701,7 +73643,7 @@
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to 2101304538
+43: Setting the LD random seed to -1376829647
 43: Generated 10 of the 10 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 10 of the 10 1-4 parameter combinations
@@ -73733,23 +73675,23 @@
 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 16 % of the run time was spent in pair search,
+43: NOTE: 50 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.000      173.7
+43:        Time:        0.128        0.064      199.9
 43:                  (ns/day)    (hour/ns)
-43: Performance:      261.652        0.092
+43: Performance:        1.349       17.796
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as double precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.OneQuantumMol (8 ms)
+43: [       OK ] MimicTest.OneQuantumMol (88 ms)
 43: [ RUN      ] MimicTest.AllQuantumMol
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to -311230497
+43: Setting the LD random seed to -412271734
 43: Generated 10 of the 10 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 10 of the 10 1-4 parameter combinations
@@ -73781,23 +73723,23 @@
 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 16 % of the run time was spent in pair search,
+43: NOTE: 73 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.000      186.5
+43:        Time:        0.088        0.044      199.9
 43:                  (ns/day)    (hour/ns)
-43: Performance:      214.812        0.112
+43: Performance:        1.959       12.252
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as double precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.AllQuantumMol (8 ms)
+43: [       OK ] MimicTest.AllQuantumMol (68 ms)
 43: [ RUN      ] MimicTest.TwoQuantumMol
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to -36740577
+43: Setting the LD random seed to -587237401
 43: Generated 10 of the 10 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 10 of the 10 1-4 parameter combinations
@@ -73829,23 +73771,23 @@
 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 17 % of the run time was spent in pair search,
+43: NOTE: 50 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.000      185.2
+43:        Time:        0.128        0.064      199.9
 43:                  (ns/day)    (hour/ns)
-43: Performance:      314.573        0.076
+43: Performance:        1.349       17.796
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as double precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.TwoQuantumMol (7 ms)
+43: [       OK ] MimicTest.TwoQuantumMol (88 ms)
 43: [ RUN      ] MimicTest.BondCuts
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
 43:   For a correct single-point energy evaluation with nsteps = 0, use
 43:   continuation = yes to avoid constraining the input coordinates.
 43: 
-43: Setting the LD random seed to -1128415445
+43: Setting the LD random seed to -1350582465
 43: Generated 2211 of the 2211 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 0.5
 43: Generated 2211 of the 2211 1-4 parameter combinations
@@ -73877,25 +73819,25 @@
 43: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 43: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 43: 
-43: NOTE: 15 % of the run time was spent in pair search,
+43: NOTE: 40 % of the run time was spent in pair search,
 43:       you might want to increase nstlist (this has no effect on accuracy)
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.001      191.7
+43:        Time:        0.160        0.080      199.9
 43:                  (ns/day)    (hour/ns)
-43: Performance:      147.013        0.163
+43: Performance:        1.079       22.251
 43: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as double precision energy file
 43: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K
 43: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm
 43: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm
 43: Note that mdrun will redetermine rlist based on the actual pair-list setup
 43: This run will generate roughly 0 Mb of data
-43: [       OK ] MimicTest.BondCuts (23 ms)
-43: [----------] 4 tests from MimicTest (46 ms total)
+43: [       OK ] MimicTest.BondCuts (128 ms)
+43: [----------] 4 tests from MimicTest (372 ms total)
 43: 
 43: [----------] 2 tests from WithIntegrator/ImdTest
 43: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/0
-43: Setting the LD random seed to 2012378877
+43: Setting the LD random seed to -329419851
 43: Generated 20503 of the 20503 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 1
 43: Generated 17396 of the 20503 1-4 parameter combinations
@@ -73930,7 +73872,7 @@
 43: IMD: Pulling from IMD remote is enabled (-imdpull).
 43: IMD: Setting port for connection requests to 0.
 43: IMD: Setting up incoming socket.
-43: IMD: Listening for IMD connection on port 55057.
+43: IMD: Listening for IMD connection on port 52535.
 43: IMD: -imdwait not set, starting simulation.
 43: starting mdrun 'Glycine'
 43: 2 steps,      0.0 ps.
@@ -73943,17 +73885,17 @@
 43: Writing final coordinates.
 43: 
 43:                Core t (s)   Wall t (s)        (%)
-43:        Time:        0.001        0.001      187.8
+43:        Time:        0.048        0.024      199.5
 43:                  (ns/day)    (hour/ns)
-43: Performance:      822.052        0.029
-43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (98 ms)
+43: Performance:       21.577        1.112
+43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/0 (227 ms)
 43: [ RUN      ] WithIntegrator/ImdTest.ImdCanRun/1
 43: 
 43: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]:
 43:   Setting tcoupl from 'V-rescale' to 'no'. Temperature coupling does not
 43:   apply to steep.
 43: 
-43: Setting the LD random seed to -83974689
+43: Setting the LD random seed to 1056734199
 43: Generated 20503 of the 20503 non-bonded parameter combinations
 43: Generating 1-4 interactions: fudge = 1
 43: Generated 17396 of the 20503 1-4 parameter combinations
@@ -73979,7 +73921,7 @@
 43: IMD: Pulling from IMD remote is enabled (-imdpull).
 43: IMD: Setting port for connection requests to 0.
 43: IMD: Setting up incoming socket.
-43: IMD: Listening for IMD connection on port 56811.
+43: IMD: Listening for IMD connection on port 40713.
 43: IMD: -imdwait not set, starting simulation.
 43: 
 43: Steepest Descents:
@@ -73996,13 +73938,13 @@
 43: Maximum force     =  1.77948604657896e+04 on atom 9
 43: Norm of force     =  7.87328617833980e+03
 43: This run will generate roughly 0 Mb of data
-43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (67 ms)
-43: [----------] 2 tests from WithIntegrator/ImdTest (165 ms total)
+43: [       OK ] WithIntegrator/ImdTest.ImdCanRun/1 (456 ms)
+43: [----------] 2 tests from WithIntegrator/ImdTest (684 ms total)
 43: 
 43: [----------] Global test environment tear-down
-43: [==========] 10 tests from 3 test cases ran. (268 ms total)
+43: [==========] 10 tests from 3 test cases ran. (1666 ms total)
 43: [  PASSED  ] 10 tests.
-43/54 Test #43: MdrunModulesTests ...................   Passed    0.28 sec
+43/54 Test #43: MdrunModulesTests ...................   Passed    1.68 sec
 test 44
       Start 44: MdrunIOTests
 
@@ -74017,7 +73959,7 @@
 44:   For a correct single-point energy evaluation with nsteps = 0, use
 44:   continuation = yes to avoid constraining the input coordinates.
 44: 
-44: Setting the LD random seed to -673579014
+44: Setting the LD random seed to 1668086431
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -74040,14 +73982,14 @@
 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm
 44: Note that mdrun will redetermine rlist based on the actual pair-list setup
 44: This run will generate roughly 0 Mb of data
-44: [       OK ] GromppTest.EmptyMdpFileWorks (6 ms)
+44: [       OK ] GromppTest.EmptyMdpFileWorks (3 ms)
 44: [ RUN      ] GromppTest.SimulatedAnnealingWorks
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]:
 44:   For a correct single-point energy evaluation with nsteps = 0, use
 44:   continuation = yes to avoid constraining the input coordinates.
 44: 
-44: Setting the LD random seed to -1114369
+44: Setting the LD random seed to -570434089
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -74083,7 +74025,7 @@
 44:   For a correct single-point energy evaluation with nsteps = 0, use
 44:   continuation = yes to avoid constraining the input coordinates.
 44: 
-44: Setting the LD random seed to -60917796
+44: Setting the LD random seed to -327
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -74118,12 +74060,12 @@
 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm
 44: Note that mdrun will redetermine rlist based on the actual pair-list setup
 44: This run will generate roughly 0 Mb of data
-44: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (5 ms)
-44: [----------] 3 tests from GromppTest (17 ms total)
+44: [       OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (6 ms)
+44: [----------] 3 tests from GromppTest (15 ms total)
 44: 
 44: [----------] 6 tests from MdrunTerminationTest
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartAppendsByDefault
-44: Setting the LD random seed to -1531196167
+44: Setting the LD random seed to -302092353
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -74157,9 +74099,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.003      195.2
+44:        Time:        0.064        0.032      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      100.375        0.239
+44: Performance:        8.138        2.949
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 4
@@ -74179,13 +74121,16 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 14 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      183.3
+44:        Time:        0.448        0.224      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      308.328        0.078
-44: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (31 ms)
+44: Performance:        1.157       20.746
+44: [       OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (417 ms)
 44: [ RUN      ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
-44: Setting the LD random seed to -939590185
+44: Setting the LD random seed to -8458515
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -74211,20 +74156,20 @@
 44: starting mdrun 'spc2'
 44: 100 steps,      0.1 ps.
 44: 
-44: Step 6: Run time exceeded 0.000 hours, will terminate the run within 2 steps
+44: Step 0: Run time exceeded 0.000 hours, will terminate the run within 2 steps
 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K
 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm
 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm
 44: Note that mdrun will redetermine rlist based on the actual pair-list setup
 44: This run will generate roughly 0 Mb of data
 44: 
-44: NOTE: 14 % of the run time was spent in pair search,
+44: NOTE: 40 % of the run time was spent in pair search,
 44:       you might want to increase nstlist (this has no effect on accuracy)
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      183.9
+44:        Time:        0.160        0.080      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      737.685        0.033
+44: Performance:        2.158       11.120
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 102
@@ -74240,17 +74185,17 @@
 44: Using 2 OpenMP threads 
 44: 
 44: starting mdrun 'spc2'
-44: 102 steps,      0.1 ps (continuing from step 7,      0.0 ps).
+44: 102 steps,      0.1 ps (continuing from step 1,      0.0 ps).
 44: 
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.002      195.9
+44:        Time:        5.833        2.917      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     3393.410        0.007
-44: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (14 ms)
+44: Performance:        3.021        7.943
+44: [       OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (3084 ms)
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend
-44: Setting the LD random seed to -1199603745
+44: Setting the LD random seed to -415236229
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -74283,10 +74228,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 13 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      186.1
+44:        Time:        0.026        0.013      199.5
 44:                  (ns/day)    (hour/ns)
-44: Performance:      415.424        0.058
+44: Performance:       19.886        1.207
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 4
@@ -74306,10 +74254,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 14 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      188.5
+44:        Time:        0.024        0.012      199.6
 44:                  (ns/day)    (hour/ns)
-44: Performance:      427.512        0.056
+44: Performance:       21.871        1.097
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 6
@@ -74329,10 +74280,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 14 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.4
+44:        Time:        0.024        0.012      199.3
 44:                  (ns/day)    (hour/ns)
-44: Performance:      477.664        0.050
+44: Performance:       21.867        1.098
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 8
@@ -74352,10 +74306,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 14 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.8
+44:        Time:        0.023        0.012      199.6
 44:                  (ns/day)    (hour/ns)
-44: Performance:      459.106        0.052
+44: Performance:       22.051        1.088
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254
 44: 
@@ -74368,16 +74325,16 @@
 44: starting mdrun 'spc2'
 44: 8 steps,      0.0 ps (continuing from step 8,      0.0 ps).
 44: 
-44: NOTE: 22 % of the run time was spent in pair search,
+44: NOTE: 30 % of the run time was spent in pair search,
 44:       you might want to increase nstlist (this has no effect on accuracy)
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.000        0.000      164.8
+44:        Time:        0.011        0.005      199.2
 44:                  (ns/day)    (hour/ns)
-44: Performance:      564.467        0.043
-44: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (20 ms)
+44: Performance:       15.823        1.517
+44: [       OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (73 ms)
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile
-44: Setting the LD random seed to 1685880767
+44: Setting the LD random seed to -147892369
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -74410,10 +74367,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 13 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      186.8
+44:        Time:        0.026        0.013      199.4
 44:                  (ns/day)    (hour/ns)
-44: Performance:      491.040        0.049
+44: Performance:       19.582        1.226
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 4
@@ -74434,12 +74394,12 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      190.8
+44:        Time:        0.040        0.020      199.5
 44:                  (ns/day)    (hour/ns)
-44: Performance:      515.341        0.047
-44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (8 ms)
+44: Performance:       21.696        1.106
+44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (47 ms)
 44: [ RUN      ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile
-44: Setting the LD random seed to 2113896159
+44: Setting the LD random seed to -134496562
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -74472,18 +74432,21 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 12 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      187.9
+44:        Time:        0.027        0.014      199.3
 44:                  (ns/day)    (hour/ns)
-44: Performance:      481.899        0.050
+44: Performance:       18.964        1.266
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 4
 44: Writing statusfile with starting step          0 and length          4 steps...
 44:                                  time      0.000 and length      0.004 ps
-44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (6 ms)
+44: [       OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (23 ms)
 44: [ RUN      ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles
-44: Setting the LD random seed to -67
+44: Setting the LD random seed to -1078232149
 44: Generated 3 of the 3 non-bonded parameter combinations
 44: Generating 1-4 interactions: fudge = 0.5
 44: Generated 3 of the 3 1-4 parameter combinations
@@ -74516,10 +74479,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 12 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      186.6
+44:        Time:        0.028        0.014      199.3
 44:                  (ns/day)    (hour/ns)
-44: Performance:      536.606        0.045
+44: Performance:       18.602        1.290
 44: Reading toplogy and stuff from /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Setting nsteps to 4
@@ -74539,12 +74505,15 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 13 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.000      192.3
+44:        Time:        0.025        0.012      199.5
 44:                  (ns/day)    (hour/ns)
-44: Performance:      548.518        0.044
-44: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (7 ms)
-44: [----------] 6 tests from MdrunTerminationTest (86 ms total)
+44: Performance:       20.869        1.150
+44: [       OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (39 ms)
+44: [----------] 6 tests from MdrunTerminationTest (3683 ms total)
 44: 
 44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -74612,9 +74581,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.7
+44:        Time:        0.114        0.057      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1733.425        0.014
+44: Performance:       25.732        0.933
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -74628,10 +74597,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 10 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.6
+44:        Time:        0.063        0.032      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1276.014        0.019
+44: Performance:       24.589        0.976
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -74645,14 +74617,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 11 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.8
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1224.283        0.020
+44: Performance:       24.905        0.964
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (12 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (140 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -74718,9 +74693,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.6
+44:        Time:        0.130        0.065      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1281.321        0.019
+44: Performance:       22.650        1.060
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -74735,9 +74710,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      194.3
+44:        Time:        0.072        0.036      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1152.878        0.021
+44: Performance:       21.571        1.113
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -74752,13 +74727,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      195.6
+44:        Time:        0.071        0.035      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      784.956        0.031
+44: Performance:       21.914        1.095
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (11 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (153 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -74815,9 +74790,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.2
+44:        Time:        0.107        0.054      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2068.702        0.012
+44: Performance:       27.351        0.877
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73
 44: 
@@ -74833,9 +74808,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.8
+44:        Time:        0.060        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1318.840        0.018
+44: Performance:       25.937        0.925
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73
 44: 
@@ -74851,13 +74826,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.4
+44:        Time:        0.059        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1376.737        0.017
+44: Performance:       26.183        0.917
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (11 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (133 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -74914,9 +74889,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.6
+44:        Time:        0.112        0.056      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2061.089        0.012
+44: Performance:       26.185        0.917
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -74932,9 +74907,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.3
+44:        Time:        0.063        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1287.600        0.019
+44: Performance:       24.787        0.968
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -74950,13 +74925,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.3
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1337.773        0.018
+44: Performance:       25.083        0.957
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (137 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -75038,9 +75013,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.2
+44:        Time:        0.127        0.063      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2133.170        0.011
+44: Performance:       23.171        1.036
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75055,9 +75030,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.0
+44:        Time:        0.070        0.035      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1444.416        0.017
+44: Performance:       22.243        1.079
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75072,13 +75047,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.9
+44:        Time:        0.071        0.035      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1274.518        0.019
+44: Performance:       22.008        1.090
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (156 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -75160,9 +75135,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      195.2
+44:        Time:        0.159        0.080      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1638.892        0.015
+44: Performance:       18.430        1.302
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75177,9 +75152,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.4
+44:        Time:        0.088        0.044      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1129.716        0.021
+44: Performance:       17.565        1.366
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75194,13 +75169,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      194.0
+44:        Time:        0.085        0.042      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1115.421        0.022
+44: Performance:       18.318        1.310
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (184 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -75273,9 +75248,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.9
+44:        Time:        0.125        0.062      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2160.096        0.011
+44: Performance:       23.514        1.021
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816
 44: 
@@ -75291,9 +75266,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.5
+44:        Time:        0.069        0.034      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1437.413        0.017
+44: Performance:       22.546        1.064
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816
 44: 
@@ -75309,13 +75284,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.0
+44:        Time:        0.070        0.035      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1373.838        0.017
+44: Performance:       22.304        1.076
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (154 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]:
@@ -75388,9 +75363,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.9
+44:        Time:        0.159        0.080      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1944.018        0.012
+44: Performance:       18.419        1.303
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 25, rlist from 0.754 to 0.9
 44: 
@@ -75406,9 +75381,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.8
+44:        Time:        0.088        0.044      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1320.442        0.018
+44: Performance:       17.739        1.353
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 25, rlist from 0.754 to 0.9
 44: 
@@ -75424,13 +75399,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.0
+44:        Time:        0.087        0.043      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1239.639        0.019
+44: Performance:       17.934        1.338
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (188 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]:
@@ -75546,9 +75521,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.002      195.9
+44:        Time:        0.403        0.202      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      609.477        0.039
+44: Performance:        7.288        3.293
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75563,9 +75538,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      194.7
+44:        Time:        0.216        0.108      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      453.489        0.053
+44: Performance:        7.210        3.329
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75580,13 +75555,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      191.7
+44:        Time:        0.217        0.109      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      579.821        0.041
+44: Performance:        7.162        3.351
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (34 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (487 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]:
@@ -75702,9 +75677,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.003      196.3
+44:        Time:        0.477        0.239      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      574.950        0.042
+44: Performance:        6.154        3.900
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75719,9 +75694,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      191.9
+44:        Time:        0.255        0.128      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      560.394        0.043
+44: Performance:        6.085        3.944
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -75736,13 +75711,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      193.8
+44:        Time:        0.249        0.125      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      573.600        0.042
+44: Performance:        6.231        3.852
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (31 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (548 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]:
@@ -75849,9 +75824,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.002      195.6
+44:        Time:        0.399        0.200      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      633.806        0.038
+44: Performance:        7.357        3.262
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873
 44: 
@@ -75867,9 +75842,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      192.5
+44:        Time:        0.216        0.108      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      584.706        0.041
+44: Performance:        7.211        3.328
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873
 44: 
@@ -75885,13 +75860,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      194.6
+44:        Time:        0.215        0.108      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      462.164        0.052
+44: Performance:        7.216        3.326
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (44 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (484 ms)
 44: [ RUN      ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]:
@@ -75998,9 +75973,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.006        0.003      196.4
+44:        Time:        0.643        0.322      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:      520.408        0.046
+44: Performance:        4.568        5.254
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874
 44: 
@@ -76016,9 +75991,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      195.1
+44:        Time:        0.343        0.171      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      386.067        0.062
+44: Performance:        4.534        5.293
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874
 44: 
@@ -76034,14 +76009,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.004        0.002      195.4
+44:        Time:        0.343        0.172      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      373.853        0.064
+44: Performance:        4.531        5.297
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (42 ms)
-44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (234 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (750 ms)
+44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (3514 ms total)
 44: 
 44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -76131,9 +76106,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.002      195.0
+44:        Time:        0.173        0.086      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      626.841        0.038
+44: Performance:       16.995        1.412
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -76148,9 +76123,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      190.4
+44:        Time:        0.094        0.047      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      569.693        0.042
+44: Performance:       16.520        1.453
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -76165,13 +76140,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      190.6
+44:        Time:        0.093        0.047      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      556.853        0.043
+44: Performance:       16.701        1.437
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (31 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (227 ms)
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -76259,9 +76234,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.003      196.8
+44:        Time:        0.217        0.109      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      559.749        0.043
+44: Performance:       13.520        1.775
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -76276,9 +76251,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      193.7
+44:        Time:        0.120        0.060      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      493.642        0.049
+44: Performance:       12.945        1.854
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -76292,17 +76267,14 @@
 44: 
 44: Writing final coordinates.
 44: 
-44: NOTE: 11 % of the run time was spent in pair search,
-44:       you might want to increase nstlist (this has no effect on accuracy)
-44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      194.4
+44:        Time:        0.115        0.058      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      479.702        0.050
+44: Performance:       13.513        1.776
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (33 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (262 ms)
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -76381,9 +76353,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.002      195.0
+44:        Time:        0.168        0.084      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      609.296        0.039
+44: Performance:       17.418        1.378
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.807
 44: 
@@ -76399,9 +76371,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      190.8
+44:        Time:        0.092        0.046      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      572.292        0.042
+44: Performance:       16.792        1.429
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.807
 44: 
@@ -76417,13 +76389,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      192.0
+44:        Time:        0.092        0.046      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      541.416        0.044
+44: Performance:       16.929        1.418
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (47 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (231 ms)
 44: [ RUN      ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -76502,9 +76474,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.005        0.003      195.6
+44:        Time:        0.216        0.108      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:      565.919        0.042
+44: Performance:       13.592        1.766
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 44: 
@@ -76520,9 +76492,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      192.9
+44:        Time:        0.117        0.059      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      533.621        0.045
+44: Performance:       13.258        1.810
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 44: 
@@ -76538,14 +76510,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      191.3
+44:        Time:        0.117        0.059      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:      516.958        0.046
+44: Performance:       13.256        1.810
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (40 ms)
-44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (151 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (276 ms)
+44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (996 ms total)
 44: 
 44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -76614,9 +76586,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.8
+44:        Time:        0.112        0.056      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2057.647        0.012
+44: Performance:       26.320        0.912
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76632,9 +76604,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.3
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1422.368        0.017
+44: Performance:       24.930        0.963
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76650,13 +76622,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.0
+44:        Time:        0.061        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1267.090        0.019
+44: Performance:       25.248        0.951
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (138 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -76713,9 +76685,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      187.5
+44:        Time:        0.111        0.055      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2111.238        0.011
+44: Performance:       26.494        0.906
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76731,9 +76703,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1418.656        0.017
+44: Performance:       25.216        0.952
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76749,13 +76721,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.6
+44:        Time:        0.061        0.031      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1400.382        0.017
+44: Performance:       25.317        0.948
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (136 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -76820,9 +76792,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.8
+44:        Time:        0.110        0.055      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2086.922        0.012
+44: Performance:       26.695        0.899
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76838,9 +76810,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.1
+44:        Time:        0.061        0.031      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1295.270        0.019
+44: Performance:       25.302        0.949
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76856,13 +76828,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.5
+44:        Time:        0.060        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1290.657        0.019
+44: Performance:       25.749        0.932
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (131 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -76929,9 +76901,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.2
+44:        Time:        0.135        0.068      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1992.430        0.012
+44: Performance:       21.677        1.107
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76947,9 +76919,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.7
+44:        Time:        0.074        0.037      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1312.471        0.018
+44: Performance:       20.907        1.148
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -76965,13 +76937,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.0
+44:        Time:        0.072        0.036      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1218.338        0.020
+44: Performance:       21.623        1.110
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (156 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -77028,9 +77000,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      195.3
+44:        Time:        0.125        0.063      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1819.431        0.013
+44: Performance:       23.466        1.023
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77046,9 +77018,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.6
+44:        Time:        0.071        0.035      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1204.836        0.020
+44: Performance:       22.024        1.090
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77064,13 +77036,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      194.5
+44:        Time:        0.070        0.035      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1099.626        0.022
+44: Performance:       22.295        1.076
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (146 ms)
 44: [ RUN      ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -77127,9 +77099,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      190.9
+44:        Time:        0.137        0.068      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1689.222        0.014
+44: Performance:       21.503        1.116
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77145,9 +77117,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.8
+44:        Time:        0.075        0.038      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1280.020        0.019
+44: Performance:       20.611        1.164
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77163,14 +77135,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      188.1
+44:        Time:        0.072        0.036      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1200.843        0.020
+44: Performance:       21.523        1.115
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
-44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact (59 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (157 ms)
+44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact (864 ms total)
 44: 
 44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -77238,9 +77210,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.4
+44:        Time:        0.117        0.058      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2000.842        0.012
+44: Performance:       25.156        0.954
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77254,10 +77226,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 10 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.5
+44:        Time:        0.065        0.033      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1365.783        0.018
+44: Performance:       23.884        1.005
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77271,14 +77246,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 10 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.6
+44:        Time:        0.064        0.032      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1305.118        0.018
+44: Performance:       24.196        0.992
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (139 ms)
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -77344,9 +77322,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.1
+44:        Time:        0.113        0.056      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1998.895        0.012
+44: Performance:       26.055        0.921
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77360,10 +77338,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 11 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.9
+44:        Time:        0.063        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1374.996        0.017
+44: Performance:       24.813        0.967
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77377,14 +77358,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 11 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.8
+44:        Time:        0.062        0.031      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1260.723        0.019
+44: Performance:       25.205        0.952
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (135 ms)
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -77450,9 +77434,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.6
+44:        Time:        0.040        0.020      199.4
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1857.279        0.013
+44: Performance:       73.278        0.328
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77467,9 +77451,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.1
+44:        Time:        1.160        0.580      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1289.127        0.019
+44: Performance:        1.340       17.909
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77484,13 +77468,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.1
+44:        Time:        0.072        0.036      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1248.657        0.019
+44: Performance:       21.588        1.112
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (726 ms)
 44: [ RUN      ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -77555,10 +77539,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 24 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      194.9
+44:        Time:        0.296        0.148      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1715.565        0.014
+44: Performance:        9.918        2.420
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77573,9 +77560,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.5
+44:        Time:        1.304        0.652      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1148.008        0.021
+44: Performance:        1.192       20.126
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Can not increase nstlist because an NVE ensemble is used
 44: Using 1 MPI thread
@@ -77590,14 +77577,14 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.9
+44:        Time:        1.344        0.672      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1090.070        0.022
+44: Performance:        1.157       20.744
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (10 ms)
-44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact (39 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (1576 ms)
+44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact (2576 ms total)
 44: 
 44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -77666,9 +77653,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.9
+44:        Time:        2.208        1.104      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2012.608        0.012
+44: Performance:        1.330       18.040
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77684,9 +77671,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.1
+44:        Time:        1.232        0.616      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1331.221        0.018
+44: Performance:        1.262       19.015
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77702,13 +77689,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.3
+44:        Time:        1.216        0.608      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1311.943        0.018
+44: Performance:        1.279       18.769
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (2464 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]:
@@ -77775,9 +77762,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.5
+44:        Time:        0.088        0.044      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1991.142        0.012
+44: Performance:       33.324        0.720
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77792,10 +77779,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 12 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      188.7
+44:        Time:        0.536        0.268      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1374.417        0.017
+44: Performance:        2.901        8.274
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77811,13 +77801,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.4
+44:        Time:        0.104        0.052      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1130.108        0.021
+44: Performance:       14.935        1.607
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (508 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]:
@@ -77874,9 +77864,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.2
+44:        Time:        1.248        0.624      200.0
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1990.499        0.012
+44: Performance:        2.354       10.196
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77891,10 +77881,13 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 36 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.9
+44:        Time:        0.176        0.088      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1316.710        0.018
+44: Performance:        8.829        2.718
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77910,13 +77903,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.3
+44:        Time:        0.012        0.006      198.1
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1279.016        0.019
+44: Performance:      131.916        0.182
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (838 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]:
@@ -77973,9 +77966,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.0
+44:        Time:        0.180        0.090      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2008.671        0.012
+44: Performance:       16.308        1.472
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -77991,9 +77984,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        0.105        0.053      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1303.033        0.018
+44: Performance:       14.770        1.625
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78009,13 +78002,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        0.099        0.050      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1304.596        0.018
+44: Performance:       15.642        1.534
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (222 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]:
@@ -78094,9 +78087,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.9
+44:        Time:        0.196        0.098      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1955.123        0.012
+44: Performance:       14.946        1.606
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78112,9 +78105,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        0.032        0.016      199.3
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1371.527        0.017
+44: Performance:       47.933        0.501
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78130,13 +78123,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.1
+44:        Time:        0.103        0.051      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1291.168        0.019
+44: Performance:       15.121        1.587
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (256 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]:
@@ -78201,9 +78194,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.8
+44:        Time:        0.188        0.094      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     2058.334        0.012
+44: Performance:       15.592        1.539
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78219,9 +78212,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.0
+44:        Time:        0.108        0.054      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1327.428        0.018
+44: Performance:       14.360        1.671
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78237,13 +78230,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.2
+44:        Time:        0.099        0.050      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1326.888        0.018
+44: Performance:       15.653        1.533
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (224 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]:
@@ -78310,9 +78303,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.6
+44:        Time:        0.237        0.118      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1842.834        0.013
+44: Performance:       12.410        1.934
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78328,9 +78321,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.7
+44:        Time:        0.120        0.060      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1299.917        0.018
+44: Performance:       12.923        1.857
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78346,13 +78339,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.6
+44:        Time:        0.080        0.040      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1261.211        0.019
+44: Performance:       19.378        1.238
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (277 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7
 44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (0 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8
@@ -78411,9 +78404,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      191.9
+44:        Time:        0.143        0.072      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1906.124        0.013
+44: Performance:       20.521        1.170
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78429,9 +78422,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      189.7
+44:        Time:        0.079        0.039      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1295.270        0.019
+44: Performance:       19.703        1.218
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78447,13 +78440,13 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      190.8
+44:        Time:        0.075        0.038      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1242.000        0.019
+44: Performance:       20.615        1.164
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (169 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]:
@@ -78510,9 +78503,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      192.8
+44:        Time:        0.131        0.066      199.9
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1624.629        0.015
+44: Performance:       22.384        1.072
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78528,9 +78521,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      192.9
+44:        Time:        0.071        0.036      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1153.693        0.021
+44: Performance:       21.805        1.101
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78546,18 +78539,18 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.001        0.001      193.5
+44:        Time:        0.070        0.035      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1071.097        0.022
+44: Performance:       22.078        1.087
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (10 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (153 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10
-44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (1 ms)
+44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (0 ms)
 44: [ RUN      ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11
 44: [       OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (0 ms)
-44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact (90 ms total)
+44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact (5111 ms total)
 44: 
 44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact
 44: [ RUN      ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0
@@ -78616,9 +78609,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      193.6
+44:        Time:        0.139        0.070      199.8
 44:                  (ns/day)    (hour/ns)
-44: Performance:     1575.197        0.015
+44: Performance:       21.116        1.137
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78634,9 +78627,9 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.002      190.6
+44:        Time:        0.078        0.039      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      507.704        0.047
+44: Performance:       19.922        1.205
 44: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 44: 
@@ -78652,18 +78645,18 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.003        0.001      190.9
+44:        Time:        0.073        0.037      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      525.454        0.046
+44: Performance:       21.244        1.130
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (14 ms)
-44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (14 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Last energy frame read 2 time    0.008         
Reading energy frame      0 time    0.008         
Reading energy frame      1 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      2 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 2 time    0.016         [       OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (165 ms)
+44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (165 ms total)
 44: 
 44: [----------] 3 tests from Checking/InitialConstraintsTest
 44: [ RUN      ] Checking/InitialConstraintsTest.Works/0
-44: Setting the LD random seed to 1607794683
+44: Setting the LD random seed to 2144599903
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -78701,14 +78694,17 @@
 44: 
 44: Writing final coordinates.
 44: 
+44: NOTE: 13 % of the run time was spent in pair search,
+44:       you might want to increase nstlist (this has no effect on accuracy)
+44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      184.7
+44:        Time:        0.025        0.013      199.1
 44:                  (ns/day)    (hour/ns)
-44: Performance:      190.680        0.126
+44: Performance:       13.528        1.774
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_spc-and-methanol.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (9 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/0 (25 ms)
 44: [ RUN      ] Checking/InitialConstraintsTest.Works/1
-44: Setting the LD random seed to 1878750122
+44: Setting the LD random seed to -1048954
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -78747,18 +78743,18 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      191.0
+44:        Time:        0.036        0.018      199.5
 44:                  (ns/day)    (hour/ns)
-44: Performance:      165.398        0.145
+44: Performance:        9.443        2.542
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_spc-and-methanol.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (8 ms)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/1 (27 ms)
 44: [ RUN      ] Checking/InitialConstraintsTest.Works/2
 44: 
 44: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]:
 44:   Integrator method md-vv-avek is implemented primarily for validation
 44:   purposes; for molecular dynamics, you should probably be using md or md-vv
 44: 
-44: Setting the LD random seed to -1343668625
+44: Setting the LD random seed to -68258489
 44: Generated 8 of the 10 non-bonded parameter combinations
 44: Excluding 2 bonded neighbours molecule type 'Methanol'
 44: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -78797,17 +78793,17 @@
 44: Writing final coordinates.
 44: 
 44:                Core t (s)   Wall t (s)        (%)
-44:        Time:        0.002        0.001      184.4
+44:        Time:        0.061        0.030      199.7
 44:                  (ns/day)    (hour/ns)
-44: Performance:      212.047        0.113
+44: Performance:        5.679        4.226
 44: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_spc-and-methanol.edr as double precision energy file
-44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (9 ms)
-44: [----------] 3 tests from Checking/InitialConstraintsTest (26 ms total)
+44: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         [       OK ] Checking/InitialConstraintsTest.Works/2 (50 ms)
+44: [----------] 3 tests from Checking/InitialConstraintsTest (102 ms total)
 44: 
 44: [----------] Global test environment tear-down
-44: [==========] 51 tests from 9 test cases ran. (716 ms total)
+44: [==========] 51 tests from 9 test cases ran. (17026 ms total)
 44: [  PASSED  ] 51 tests.
-44/54 Test #44: MdrunIOTests ........................   Passed    0.75 sec
+44/54 Test #44: MdrunIOTests ........................   Passed   17.07 sec
 test 45
       Start 45: MdrunTests
 
@@ -78822,7 +78818,7 @@
 45:   The Berendsen thermostat does not generate the correct kinetic energy
 45:   distribution. You might want to consider using the V-rescale thermostat.
 45: 
-45: Setting the LD random seed to -67371296
+45: Setting the LD random seed to -609271941
 45: Generated 2145 of the 2145 non-bonded parameter combinations
 45: Generating 1-4 interactions: fudge = 0.5
 45: Generated 2145 of the 2145 1-4 parameter combinations
@@ -78868,11 +78864,11 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.026        0.013      198.9
+45:        Time:        0.127        0.064      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:     2640.708        0.009
-45: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (70 ms)
-45: [----------] 1 test from DispersionCorrectionTest (70 ms total)
+45: Performance:      546.666        0.044
+45: [       OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (180 ms)
+45: [----------] 1 test from DispersionCorrectionTest (180 ms total)
 45: 
 45: [----------] 1 test from OriresTest
 45: [ RUN      ] OriresTest.OriresCanRun
@@ -78881,7 +78877,7 @@
 45:   The Berendsen thermostat does not generate the correct kinetic energy
 45:   distribution. You might want to consider using the V-rescale thermostat.
 45: 
-45: Setting the LD random seed to -42467909
+45: Setting the LD random seed to -104858113
 45: Generated 2145 of the 2145 non-bonded parameter combinations
 45: Generating 1-4 interactions: fudge = 0.5
 45: Generated 2145 of the 2145 1-4 parameter combinations
@@ -78920,15 +78916,15 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.010        0.005      198.1
+45:        Time:        0.174        0.087      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:      367.093        0.065
-45: [       OK ] OriresTest.OriresCanRun (146 ms)
-45: [----------] 1 test from OriresTest (146 ms total)
+45: Performance:       21.857        1.098
+45: [       OK ] OriresTest.OriresCanRun (360 ms)
+45: [----------] 1 test from OriresTest (360 ms total)
 45: 
 45: [----------] 3 tests from PmeTest
 45: [ RUN      ] PmeTest.ReproducesEnergies
-45: Setting the LD random seed to 1054863301
+45: Setting the LD random seed to -342139481
 45: Generated 8 of the 10 non-bonded parameter combinations
 45: Excluding 2 bonded neighbours molecule type 'Methanol'
 45: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -78969,9 +78965,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.044        0.022      199.7
+45:        Time:        0.407        0.204      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:       82.373        0.291
+45: Performance:        8.913        2.693
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
@@ -78987,9 +78983,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.044        0.022      199.7
+45:        Time:        0.413        0.207      200.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:       82.272        0.292
+45: Performance:        8.774        2.735
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
@@ -79005,18 +79001,18 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.040        0.020      199.7
+45:        Time:        0.336        0.168      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:       90.904        0.264
+45: Performance:       10.799        2.222
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as double precision energy file
-45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (82 ms)
+45: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (632 ms)
 45: [ RUN      ] PmeTest.ScalesTheBox
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -285217313
+45: Setting the LD random seed to 1003355827
 45: Generated 8 of the 10 non-bonded parameter combinations
 45: Excluding 2 bonded neighbours molecule type 'Methanol'
 45: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -79047,10 +79043,13 @@
 45: starting mdrun 'spc-and-methanol'
 45: 0 steps,      0.0 ps.
 45: 
+45: NOTE: 14 % of the run time was spent in pair search,
+45:       you might want to increase nstlist (this has no effect on accuracy)
+45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      192.0
+45:        Time:        0.025        0.012      199.3
 45:                  (ns/day)    (hour/ns)
-45: Performance:       84.315        0.285
+45: Performance:        7.010        3.424
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K
 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -79059,14 +79058,14 @@
 45: Calculating fourier grid dimensions for X Y Z
 45: Using a fourier grid of 28x28x28, spacing 0.107 0.107 0.107
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] PmeTest.ScalesTheBox (7 ms)
+45: [       OK ] PmeTest.ScalesTheBox (27 ms)
 45: [ RUN      ] PmeTest.ScalesTheBoxWithWalls
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -173820219
+45: Setting the LD random seed to -1163531659
 45: Generated 8 of the 10 non-bonded parameter combinations
 45: Excluding 2 bonded neighbours molecule type 'Methanol'
 45: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -79098,10 +79097,13 @@
 45: starting mdrun 'spc-and-methanol'
 45: 0 steps,      0.0 ps.
 45: 
+45: NOTE: 10 % of the run time was spent in pair search,
+45:       you might want to increase nstlist (this has no effect on accuracy)
+45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.009        0.005      197.7
+45:        Time:        0.034        0.017      199.4
 45:                  (ns/day)    (hour/ns)
-45: Performance:       18.267        1.314
+45: Performance:        5.091        4.714
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K
 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -79110,8 +79112,8 @@
 45: Calculating fourier grid dimensions for X Y Z
 45: Using a fourier grid of 28x28x128, spacing 0.107 0.107 0.118
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] PmeTest.ScalesTheBoxWithWalls (18 ms)
-45: [----------] 3 tests from PmeTest (107 ms total)
+45: [       OK ] PmeTest.ScalesTheBoxWithWalls (40 ms)
+45: [----------] 3 tests from PmeTest (699 ms total)
 45: 
 45: [----------] 1 test from CompelTest
 45: [ RUN      ] CompelTest.SwapCanRun
@@ -79120,7 +79122,7 @@
 45:   The Berendsen thermostat does not generate the correct kinetic energy
 45:   distribution. You might want to consider using the V-rescale thermostat.
 45: 
-45: Setting the LD random seed to 2000518975
+45: Setting the LD random seed to -1174437890
 45: Generated 330891 of the 330891 non-bonded parameter combinations
 45: Generating 1-4 interactions: fudge = 0.5
 45: Generated 330891 of the 330891 1-4 parameter combinations
@@ -79179,13 +79181,13 @@
 45: 
 45: Writing final coordinates.
 45: 
-45: NOTE: 36 % of the run time was spent in pair search,
+45: NOTE: 31 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.512        0.256      199.9
+45:        Time:        0.522        0.261      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:        5.063        4.740
+45: Performance:        4.968        4.831
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps
 45: 
@@ -79206,15 +79208,15 @@
 45: 
 45: Writing final coordinates.
 45: 
-45: NOTE: 28 % of the run time was spent in pair search,
+45: NOTE: 20 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.288        0.144      199.9
+45:        Time:        0.387        0.193      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:        8.990        2.670
-45: [       OK ] CompelTest.SwapCanRun (777 ms)
-45: [----------] 1 test from CompelTest (777 ms total)
+45: Performance:        6.702        3.581
+45: [       OK ] CompelTest.SwapCanRun (878 ms)
+45: [----------] 1 test from CompelTest (878 ms total)
 45: 
 45: [----------] 6 tests from BondedInteractionsTest
 45: [ RUN      ] BondedInteractionsTest.NormalBondWorks
@@ -79223,7 +79225,7 @@
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to 2011766265
+45: Setting the LD random seed to -1117266
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -79256,22 +79258,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 18 % of the run time was spent in pair search,
+45: NOTE: 36 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      185.7
+45:        Time:        0.009        0.005      199.0
 45:                  (ns/day)    (hour/ns)
-45: Performance:      480.621        0.050
+45: Performance:       18.610        1.290
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.NormalBondWorks (3 ms)
+45: [       OK ] BondedInteractionsTest.NormalBondWorks (13 ms)
 45: [ RUN      ] BondedInteractionsTest.TabulatedBondWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -546407657
+45: Setting the LD random seed to -161499779
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -79304,22 +79306,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 15 % of the run time was spent in pair search,
+45: NOTE: 37 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      184.8
+45:        Time:        0.009        0.005      199.1
 45:                  (ns/day)    (hour/ns)
-45: Performance:      451.292        0.053
+45: Performance:       19.067        1.259
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.TabulatedBondWorks (4 ms)
+45: [       OK ] BondedInteractionsTest.TabulatedBondWorks (11 ms)
 45: [ RUN      ] BondedInteractionsTest.NormalAngleWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -187750728
+45: Setting the LD random seed to 1847566262
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -79352,22 +79354,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 17 % of the run time was spent in pair search,
+45: NOTE: 24 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      185.0
+45:        Time:        0.014        0.007      199.1
 45:                  (ns/day)    (hour/ns)
-45: Performance:      512.571        0.047
+45: Performance:       12.497        1.920
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.NormalAngleWorks (3 ms)
+45: [       OK ] BondedInteractionsTest.NormalAngleWorks (15 ms)
 45: [ RUN      ] BondedInteractionsTest.TabulatedAngleWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -880824321
+45: Setting the LD random seed to -1208229897
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -79400,22 +79402,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 19 % of the run time was spent in pair search,
+45: NOTE: 38 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      184.6
+45:        Time:        0.009        0.004      199.1
 45:                  (ns/day)    (hour/ns)
-45: Performance:      527.493        0.045
+45: Performance:       19.449        1.234
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (3 ms)
+45: [       OK ] BondedInteractionsTest.TabulatedAngleWorks (13 ms)
 45: [ RUN      ] BondedInteractionsTest.NormalDihedralWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -549519875
+45: Setting the LD random seed to 1888482299
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -79448,22 +79450,22 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 18 % of the run time was spent in pair search,
+45: NOTE: 16 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      185.9
+45:        Time:        0.021        0.011      199.4
 45:                  (ns/day)    (hour/ns)
-45: Performance:      512.571        0.047
+45: Performance:        8.136        2.950
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.NormalDihedralWorks (4 ms)
+45: [       OK ] BondedInteractionsTest.NormalDihedralWorks (22 ms)
 45: [ RUN      ] BondedInteractionsTest.TabulatedDihedralWorks
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]:
 45:   For a correct single-point energy evaluation with nsteps = 0, use
 45:   continuation = yes to avoid constraining the input coordinates.
 45: 
-45: Setting the LD random seed to -268480569
+45: Setting the LD random seed to -1074024846
 45: Generated 3 of the 3 non-bonded parameter combinations
 45: Excluding 3 bonded neighbours molecule type 'butane'
 45: 
@@ -79496,16 +79498,16 @@
 45: Reading frames from gro file 'A single butane', 4 atoms.
 45: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 45: 
-45: NOTE: 18 % of the run time was spent in pair search,
+45: NOTE: 71 % of the run time was spent in pair search,
 45:       you might want to increase nstlist (this has no effect on accuracy)
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.000        0.000      184.9
+45:        Time:        0.019        0.010      199.4
 45:                  (ns/day)    (hour/ns)
-45: Performance:      506.836        0.047
+45: Performance:        8.937        2.685
 45: This run will generate roughly 0 Mb of data
-45: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (3 ms)
-45: [----------] 6 tests from BondedInteractionsTest (20 ms total)
+45: [       OK ] BondedInteractionsTest.TabulatedDihedralWorks (16 ms)
+45: [----------] 6 tests from BondedInteractionsTest (90 ms total)
 45: 
 45: [----------] 4 tests from SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest
 45: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/0
@@ -79548,9 +79550,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      192.3
+45:        Time:        0.219        0.110      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1703.233        0.014
+45: Performance:       13.393        1.792
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
 45: Using 1 MPI thread
@@ -79564,16 +79566,19 @@
 45: 
 45: Writing final coordinates.
 45: 
+45: NOTE: 10 % of the run time was spent in pair search,
+45:       you might want to increase nstlist (this has no effect on accuracy)
+45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      192.7
+45:        Time:        0.229        0.114      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1793.477        0.013
+45: Performance:       12.829        1.871
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         trr version: GMX_trn_file (double precision)
 45: 
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/0 (7 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/0 (240 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/1
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_input.mdp]:
@@ -79610,9 +79615,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      194.9
+45:        Time:        0.126        0.063      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1708.903        0.014
+45: Performance:       23.235        1.033
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 45: 
@@ -79628,14 +79633,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.001        0.001      192.9
+45:        Time:        0.170        0.085      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1902.005        0.013
+45: Performance:       17.246        1.392
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/1 (7 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/1 (161 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/2
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_input.mdp]:
@@ -79684,9 +79689,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      195.5
+45:        Time:        0.196        0.098      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1425.733        0.017
+45: Performance:       15.021        1.598
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
 45: Using 1 MPI thread
@@ -79701,14 +79706,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      193.2
+45:        Time:        0.174        0.087      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1560.829        0.015
+45: Performance:       16.916        1.419
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/2 (260 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/2 (508 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/3
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_input.mdp]:
@@ -79753,9 +79758,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      195.3
+45:        Time:        0.164        0.082      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1344.814        0.018
+45: Performance:       17.892        1.341
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916
 45: 
@@ -79771,15 +79776,15 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      193.6
+45:        Time:        0.174        0.087      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1535.159        0.016
+45: Performance:       16.852        1.424
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/3 (259 ms)
-45: [----------] 4 tests from SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest (533 ms total)
+45: [       OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/3 (465 ms)
+45: [----------] 4 tests from SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest (1374 ms total)
 45: 
 45: [----------] 8 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0
@@ -79822,9 +79827,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.001        0.001      192.3
+45:        Time:        0.008        0.004      197.7
 45:                  (ns/day)    (hour/ns)
-45: Performance:     2086.215        0.012
+45: Performance:      359.701        0.067
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
 45: Using 1 MPI thread
@@ -79839,14 +79844,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      195.1
+45:        Time:        0.117        0.059      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1722.279        0.014
+45: Performance:       25.057        0.958
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0 (7 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0 (77 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/1
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_input.mdp]:
@@ -79887,9 +79892,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.001        0.001      192.2
+45:        Time:        0.112        0.056      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:     2034.542        0.012
+45: Performance:       26.129        0.919
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
 45: Using 1 MPI thread
@@ -79904,14 +79909,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      194.9
+45:        Time:        0.115        0.058      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1700.412        0.014
+45: Performance:       25.518        0.941
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/1 (7 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/1 (126 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/2
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_input.mdp]:
@@ -79948,9 +79953,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.001        0.001      192.2
+45:        Time:        0.111        0.056      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1989.856        0.012
+45: Performance:       26.464        0.907
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 45: 
@@ -79966,14 +79971,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      194.7
+45:        Time:        0.113        0.056      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1820.506        0.013
+45: Performance:       26.075        0.920
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/2 (7 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/2 (125 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/3
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_input.mdp]:
@@ -80010,9 +80015,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.001        0.001      191.0
+45:        Time:        0.111        0.056      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:     2020.529        0.012
+45: Performance:       26.455        0.907
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 45: 
@@ -80028,14 +80033,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      193.6
+45:        Time:        0.112        0.056      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1732.938        0.014
+45: Performance:       26.170        0.917
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/3 (7 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/3 (124 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/4
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_input.mdp]:
@@ -80084,9 +80089,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      193.0
+45:        Time:        0.137        0.068      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1726.624        0.014
+45: Performance:       21.458        1.118
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
 45: Using 1 MPI thread
@@ -80101,14 +80106,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      196.0
+45:        Time:        0.140        0.070      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1568.779        0.015
+45: Performance:       21.028        1.141
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/4 (257 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/4 (396 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/5
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_input.mdp]:
@@ -80157,9 +80162,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      192.0
+45:        Time:        0.132        0.066      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1663.676        0.014
+45: Performance:       22.260        1.078
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Can not increase nstlist because an NVE ensemble is used
 45: Using 1 MPI thread
@@ -80174,14 +80179,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      195.4
+45:        Time:        0.134        0.067      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1519.633        0.016
+45: Performance:       21.865        1.098
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/5 (261 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/5 (438 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/6
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_input.mdp]:
@@ -80226,9 +80231,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      192.1
+45:        Time:        0.220        0.110      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1679.551        0.014
+45: Performance:       13.340        1.799
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916
 45: 
@@ -80244,14 +80249,14 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      195.5
+45:        Time:        0.225        0.112      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1511.802        0.016
+45: Performance:       13.078        1.835
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/6 (258 ms)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/6 (652 ms)
 45: [ RUN      ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/7
 45: 
 45: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_input.mdp]:
@@ -80296,9 +80301,9 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      192.4
+45:        Time:        0.138        0.069      199.8
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1611.034        0.015
+45: Performance:       21.245        1.130
 45: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916
 45: 
@@ -80314,20 +80319,20 @@
 45: Writing final coordinates.
 45: 
 45:                Core t (s)   Wall t (s)        (%)
-45:        Time:        0.002        0.001      195.3
+45:        Time:        0.136        0.068      199.9
 45:                  (ns/day)    (hour/ns)
-45: Performance:     1462.629        0.016
+45: Performance:       21.662        1.108
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim1.edr as double precision energy file
 45: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim2.edr as double precision energy file
 45: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 45: 
-45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/7 (258 ms)
-45: [----------] 8 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest (1062 ms total)
+45: [       OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/7 (629 ms)
+45: [----------] 8 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest (2567 ms total)
 45: 
 45: [----------] Global test environment tear-down
-45: [==========] 24 tests from 7 test cases ran. (2716 ms total)
+45: [==========] 24 tests from 7 test cases ran. (6148 ms total)
 45: [  PASSED  ] 24 tests.
-45/54 Test #45: MdrunTests ..........................   Passed    2.74 sec
+45/54 Test #45: MdrunTests ..........................   Passed    6.18 sec
 test 46
       Start 46: MdrunNonIntegratorTests
 
@@ -80347,9 +80352,9 @@
 46: 
 46: Coulomb LJ   comb. SIMD    Mcycles  Mcycles/it.   pairs/cycle
 46:                                                 total    useful
-46: Ewald   all  geom. 4xM       0.228     0.2284   4.6398   2.7575
-46: [       OK ] NonbondedBenchTest.BasicEndToEndTest (26 ms)
-46: [----------] 1 test from NonbondedBenchTest (26 ms total)
+46: Ewald   all  geom. 4xM       0.250     0.2497   4.2437   2.5221
+46: [       OK ] NonbondedBenchTest.BasicEndToEndTest (30 ms)
+46: [----------] 1 test from NonbondedBenchTest (30 ms total)
 46: 
 46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0
@@ -80400,7 +80405,7 @@
 46: Norm of force     =  8.77219865482161e+01
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (261 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (379 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -80452,7 +80457,7 @@
 46: Norm of force     =  1.84530029253756e+02
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (243 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (564 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -80502,7 +80507,7 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         turning H bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (66 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (247 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -80559,7 +80564,7 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning H bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (67 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (213 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -80619,7 +80624,7 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    3.000         
Last energy frame read 2 time    3.000         turning all bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (10 ms)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (144 ms)
 46: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -80686,8 +80691,8 @@
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning all bonds into constraints...
 46: This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (11 ms)
-46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (658 ms total)
+46: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (192 ms)
+46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (1739 ms total)
 46: 
 46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -80727,7 +80732,7 @@
 46: Norm of force     =  1.63839399694378e+00
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (3 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (10 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -80768,7 +80773,7 @@
 46: Norm of force     =  1.05251679559258e+00
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Last energy frame read 1 time    0.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (4 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (14 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -80819,7 +80824,7 @@
 46: Norm of force     =  1.05251679559258e+00
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Last energy frame read 1 time    0.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (14 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -80868,7 +80873,7 @@
 46: Norm of force     =  4.62274878665467e+03
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (68 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (99 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -80920,7 +80925,7 @@
 46: Norm of force     =  3.61390332564874e+03
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (67 ms)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (105 ms)
 46: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -80982,8 +80987,8 @@
 46: Norm of force     =  6.06436286976271e+03
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (67 ms)
-46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (212 ms total)
+46: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (102 ms)
+46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (344 ms total)
 46: 
 46: [----------] 5 tests from NormalModesWorks/NormalModesTest
 46: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/0
@@ -81042,7 +81047,7 @@
 46: Full matrix storage format, nrow=18, ncols=18
 46: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 46: Cannot compute entropy when -first = 7
-46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/0 (6 ms)
+46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/0 (161 ms)
 46: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1_input.mdp]:
@@ -81108,7 +81113,7 @@
 46: Full matrix storage format, nrow=768, ncols=768
 46: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 46: Cannot compute entropy when -first = 7
-46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/1 (978 ms)
+46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/1 (9041 ms)
 46: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2_input.mdp]:
@@ -81165,7 +81170,7 @@
 46: Full matrix storage format, nrow=18, ncols=18
 46: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 46: Cannot compute entropy when -first = 7
-46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/2 (252 ms)
+46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/2 (412 ms)
 46: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3_input.mdp]:
@@ -81224,7 +81229,7 @@
 46: Full matrix storage format, nrow=9, ncols=9
 46: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 46: Cannot compute entropy when -first = 7
-46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/3 (247 ms)
+46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/3 (394 ms)
 46: [ RUN      ] NormalModesWorks/NormalModesTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_4_input.mdp]:
@@ -81283,8 +81288,8 @@
 46: Full matrix storage format, nrow=18, ncols=18
 46: Writing eigenfrequencies - negative eigenvalues will be set to zero.
 46: Cannot compute entropy when -first = 7
-46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/4 (6 ms)
-46: [----------] 5 tests from NormalModesWorks/NormalModesTest (1489 ms total)
+46: [       OK ] NormalModesWorks/NormalModesTest.WithinTolerances/4 (134 ms)
+46: [----------] 5 tests from NormalModesWorks/NormalModesTest (10142 ms total)
 46: 
 46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0
@@ -81327,9 +81332,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.6
+46:        Time:        0.117        0.058      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2106.906        0.011
+46: Performance:       25.119        0.955
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -81343,18 +81348,18 @@
 46: trr version: GMX_trn_file (double precision)
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 19 % of the run time was spent in pair search,
+46: NOTE: 48 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      191.4
+46:        Time:        0.034        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4263.387        0.006
+46: Performance:       86.574        0.277
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (6 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (88 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]:
@@ -81395,9 +81400,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      195.6
+46:        Time:        0.129        0.064      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1815.677        0.013
+46: Performance:       22.844        1.051
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -81410,18 +81415,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 20 % of the run time was spent in pair search,
+46: NOTE: 49 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.3
+46:        Time:        0.034        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4293.097        0.006
+46: Performance:       86.944        0.276
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (6 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (92 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]:
@@ -81458,9 +81463,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.9
+46:        Time:        0.106        0.053      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2027.845        0.012
+46: Performance:       27.637        0.868
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73
 46: 
@@ -81474,18 +81479,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 20 % of the run time was spent in pair search,
+46: NOTE: 48 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.5
+46:        Time:        0.034        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     4039.734        0.006
+46: Performance:       86.819        0.276
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (6 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (82 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]:
@@ -81522,9 +81527,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.7
+46:        Time:        0.110        0.055      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1918.590        0.013
+46: Performance:       26.703        0.899
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734
 46: 
@@ -81538,18 +81543,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 19 % of the run time was spent in pair search,
+46: NOTE: 43 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.7
+46:        Time:        0.038        0.019      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     3826.456        0.006
+46: Performance:       77.433        0.310
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (7 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (88 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]:
@@ -81598,9 +81603,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.7
+46:        Time:        0.128        0.064      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1691.077        0.014
+46: Performance:       22.866        1.050
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -81613,18 +81618,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 23 % of the run time was spent in pair search,
+46: NOTE: 50 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      191.8
+46:        Time:        0.035        0.018      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     3613.251        0.007
+46: Performance:       82.645        0.290
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (248 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (356 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]:
@@ -81673,9 +81678,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      195.6
+46:        Time:        0.164        0.082      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1420.146        0.017
+46: Performance:       17.899        1.341
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -81688,18 +81693,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 23 % of the run time was spent in pair search,
+46: NOTE: 47 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.3
+46:        Time:        0.035        0.017      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     3548.729        0.007
+46: Performance:       84.406        0.284
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (247 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (360 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]:
@@ -81744,9 +81749,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.1
+46:        Time:        0.138        0.069      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1743.235        0.014
+46: Performance:       21.282        1.128
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 100, rlist from 0.734 to 0.826
 46: 
@@ -81760,18 +81765,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 23 % of the run time was spent in pair search,
+46: NOTE: 41 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.6
+46:        Time:        0.041        0.021      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     3461.008        0.007
+46: Performance:       70.715        0.339
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (248 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (387 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]:
@@ -81816,9 +81821,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.1
+46:        Time:        0.162        0.081      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1617.378        0.015
+46: Performance:       18.119        1.325
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916
 46: 
@@ -81832,18 +81837,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 23 % of the run time was spent in pair search,
+46: NOTE: 43 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.000      192.9
+46:        Time:        0.038        0.019      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     3514.315        0.007
+46: Performance:       76.973        0.312
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (244 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (364 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]:
@@ -81909,9 +81914,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      195.4
+46:        Time:        0.418        0.209      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      751.017        0.032
+46: Performance:        7.026        3.416
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -81924,18 +81929,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 17 % of the run time was spent in pair search,
+46: NOTE: 31 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      193.1
+46:        Time:        0.053        0.026      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1945.860        0.012
+46: Performance:       55.682        0.431
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (16 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (276 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]:
@@ -82001,9 +82006,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      195.7
+46:        Time:        0.480        0.240      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:      701.822        0.034
+46: Performance:        6.114        3.925
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82016,18 +82021,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 16 % of the run time was spent in pair search,
+46: NOTE: 31 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.7
+46:        Time:        0.054        0.027      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1812.472        0.013
+46: Performance:       54.726        0.439
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (17 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (303 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]:
@@ -82089,9 +82094,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      195.3
+46:        Time:        0.401        0.201      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      753.313        0.032
+46: Performance:        7.324        3.277
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873
 46: 
@@ -82105,18 +82110,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 16 % of the run time was spent in pair search,
+46: NOTE: 29 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.8
+46:        Time:        0.057        0.028      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1800.817        0.013
+46: Performance:       51.662        0.465
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (25 ms)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (272 ms)
 46: [ RUN      ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]:
@@ -82178,9 +82183,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      196.1
+46:        Time:        0.648        0.324      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:      603.861        0.040
+46: Performance:        4.531        5.297
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874
 46: 
@@ -82194,19 +82199,19 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 17 % of the run time was spent in pair search,
+46: NOTE: 31 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.001        0.001      192.3
+46:        Time:        0.060        0.030      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1897.319        0.013
+46: Performance:       48.915        0.491
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (23 ms)
-46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (1093 ms total)
+46: [       OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (399 ms)
+46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (3067 ms total)
 46: 
 46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0
@@ -82260,9 +82265,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.7
+46:        Time:        0.172        0.086      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      770.556        0.031
+46: Performance:       17.114        1.402
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82275,18 +82280,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 36 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.4
+46:        Time:        0.046        0.023      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1399.181        0.017
+46: Performance:       64.301        0.373
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (136 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]:
@@ -82338,9 +82343,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.4
+46:        Time:        0.173        0.086      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      787.397        0.030
+46: Performance:       16.996        1.412
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82353,18 +82358,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 39 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.6
+46:        Time:        0.044        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1562.809        0.015
+46: Performance:       66.051        0.363
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (135 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]:
@@ -82416,9 +82421,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.5
+46:        Time:        0.175        0.088      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      781.504        0.031
+46: Performance:       16.727        1.435
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82431,18 +82436,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 41 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.0
+46:        Time:        0.047        0.024      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1467.157        0.016
+46: Performance:       62.170        0.386
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (18 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (138 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]:
@@ -82494,9 +82499,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.8
+46:        Time:        0.172        0.086      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      729.410        0.033
+46: Performance:       17.111        1.403
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82509,18 +82514,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.0
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1518.510        0.016
+46: Performance:       67.543        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (133 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]:
@@ -82572,9 +82577,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.5
+46:        Time:        0.169        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      797.798        0.030
+46: Performance:       17.325        1.385
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82587,18 +82592,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.4
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1524.145        0.016
+46: Performance:       67.662        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (132 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]:
@@ -82650,9 +82655,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.8
+46:        Time:        0.169        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      795.223        0.030
+46: Performance:       17.346        1.384
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82665,18 +82670,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.6
+46:        Time:        0.043        0.022      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1523.391        0.016
+46: Performance:       67.799        0.354
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (133 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]:
@@ -82728,9 +82733,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.9
+46:        Time:        0.169        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      724.946        0.033
+46: Performance:       17.319        1.386
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82743,18 +82748,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.6
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1550.225        0.015
+46: Performance:       67.711        0.354
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (132 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]:
@@ -82806,9 +82811,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.9
+46:        Time:        0.170        0.085      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      751.842        0.032
+46: Performance:       17.271        1.390
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82821,18 +82826,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 33 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.7
+46:        Time:        0.011        0.005      198.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1549.055        0.015
+46: Performance:      277.067        0.087
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (18 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (118 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]:
@@ -82884,9 +82889,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.6
+46:        Time:        0.172        0.086      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      785.590        0.031
+46: Performance:       17.097        1.404
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82899,18 +82904,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.9
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1586.964        0.015
+46: Performance:       67.675        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (134 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]:
@@ -82962,9 +82967,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.6
+46:        Time:        0.170        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      718.185        0.033
+46: Performance:       17.274        1.389
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -82977,18 +82982,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.8
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1582.480        0.015
+46: Performance:       67.676        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (134 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]:
@@ -83040,9 +83045,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      194.4
+46:        Time:        0.171        0.085      199.8
 46:                  (ns/day)    (hour/ns)
-46: Performance:      779.822        0.031
+46: Performance:       17.194        1.396
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83055,18 +83060,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 42 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.3
+46:        Time:        0.047        0.023      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1514.031        0.016
+46: Performance:       62.717        0.383
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (135 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]:
@@ -83118,9 +83123,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.7
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      690.417        0.035
+46: Performance:       13.496        1.778
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83133,18 +83138,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      190.9
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1558.460        0.015
+46: Performance:       67.701        0.354
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (154 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]:
@@ -83196,9 +83201,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.8
+46:        Time:        0.217        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      685.653        0.035
+46: Performance:       13.508        1.777
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83211,18 +83216,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.5
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1546.722        0.016
+46: Performance:       67.499        0.356
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (18 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (154 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]:
@@ -83274,9 +83279,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.8
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      668.032        0.036
+46: Performance:       13.459        1.783
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83289,18 +83294,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.2
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1538.610        0.016
+46: Performance:       67.692        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (155 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]:
@@ -83352,9 +83357,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.8
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      686.723        0.035
+46: Performance:       13.452        1.784
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83367,18 +83372,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.0
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1558.855        0.015
+46: Performance:       67.590        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (154 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]:
@@ -83430,9 +83435,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      196.9
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      690.108        0.035
+46: Performance:       13.464        1.783
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83445,18 +83450,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.2
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1523.391        0.016
+46: Performance:       67.559        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (155 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]:
@@ -83507,10 +83512,13 @@
 46: 
 46: Writing final coordinates.
 46: 
+46: NOTE: 20 % of the run time was spent in pair search,
+46:       you might want to increase nstlist (this has no effect on accuracy)
+46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.006        0.003      197.5
+46:        Time:        0.033        0.017      199.5
 46:                  (ns/day)    (hour/ns)
-46: Performance:      515.315        0.047
+46: Performance:       88.424        0.271
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83523,18 +83531,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.3
+46:        Time:        0.044        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1496.016        0.016
+46: Performance:       67.265        0.357
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (18 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (62 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]:
@@ -83586,9 +83594,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      197.4
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      578.894        0.041
+46: Performance:       13.469        1.782
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83601,18 +83609,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.5
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1471.362        0.016
+46: Performance:       67.526        0.355
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (19 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (155 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]:
@@ -83664,9 +83672,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      197.1
+46:        Time:        0.231        0.115      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      572.706        0.042
+46: Performance:       12.734        1.885
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83679,18 +83687,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 37 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.6
+46:        Time:        0.045        0.023      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1549.445        0.015
+46: Performance:       65.041        0.369
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (17 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (165 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]:
@@ -83742,9 +83750,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      197.2
+46:        Time:        0.232        0.116      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      580.203        0.041
+46: Performance:       12.676        1.893
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83757,18 +83765,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.5
+46:        Time:        0.043        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1567.980        0.015
+46: Performance:       67.436        0.356
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (18 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (161 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]:
@@ -83820,9 +83828,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      197.2
+46:        Time:        0.228        0.114      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      572.546        0.042
+46: Performance:       12.861        1.866
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83835,18 +83843,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 38 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.7
+46:        Time:        0.044        0.022      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1492.030        0.016
+46: Performance:       66.765        0.359
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (18 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (161 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]:
@@ -83898,9 +83906,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      197.1
+46:        Time:        0.223        0.112      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      581.792        0.041
+46: Performance:       13.162        1.823
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Can not increase nstlist because an NVE ensemble is used
 46: Using 1 MPI thread
@@ -83913,18 +83921,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 36 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.3
+46:        Time:        0.046        0.023      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1548.666        0.015
+46: Performance:       63.667        0.377
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (18 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (158 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]:
@@ -83972,9 +83980,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      195.4
+46:        Time:        0.223        0.112      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      583.224        0.041
+46: Performance:       13.148        1.825
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -83988,18 +83996,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.7
+46:        Time:        0.048        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1482.337        0.016
+46: Performance:       61.589        0.390
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (25 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (167 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]:
@@ -84047,9 +84055,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      195.7
+46:        Time:        0.217        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      592.365        0.041
+46: Performance:       13.505        1.777
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84063,18 +84071,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      193.0
+46:        Time:        0.048        0.024      199.6
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1473.474        0.016
+46: Performance:       61.652        0.389
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (24 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (166 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]:
@@ -84122,9 +84130,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      195.5
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      585.441        0.041
+46: Performance:       13.474        1.781
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84138,18 +84146,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.3
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1475.945        0.016
+46: Performance:       61.850        0.388
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (24 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (164 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]:
@@ -84197,9 +84205,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      195.5
+46:        Time:        0.219        0.110      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      590.321        0.041
+46: Performance:       13.413        1.789
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84213,18 +84221,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      191.5
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1456.405        0.016
+46: Performance:       61.879        0.388
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (25 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (168 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]:
@@ -84272,9 +84280,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      195.5
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      592.593        0.040
+46: Performance:       13.485        1.780
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84288,18 +84296,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.9
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1338.968        0.018
+46: Performance:       61.794        0.388
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (24 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (167 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]:
@@ -84347,9 +84355,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      195.5
+46:        Time:        0.217        0.108      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      594.365        0.040
+46: Performance:       13.540        1.773
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84363,18 +84371,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.6
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1500.023        0.016
+46: Performance:       61.746        0.389
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (25 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (165 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]:
@@ -84422,9 +84430,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      195.3
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      597.362        0.040
+46: Performance:       13.491        1.779
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84438,18 +84446,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 12 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.7
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1502.950        0.016
+46: Performance:       61.778        0.388
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (24 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (165 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]:
@@ -84497,9 +84505,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      195.2
+46:        Time:        0.217        0.108      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      595.341        0.040
+46: Performance:       13.557        1.770
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84513,18 +84521,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.3
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1501.851        0.016
+46: Performance:       61.787        0.388
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (25 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (165 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]:
@@ -84572,9 +84580,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      194.4
+46:        Time:        0.217        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      591.966        0.041
+46: Performance:       13.534        1.773
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84588,18 +84596,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.4
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1483.408        0.016
+46: Performance:       61.750        0.389
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (24 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (165 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]:
@@ -84647,9 +84655,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.002      195.5
+46:        Time:        0.218        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      591.001        0.041
+46: Performance:       13.469        1.782
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84663,18 +84671,18 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 14 % of the run time was spent in pair search,
+46: NOTE: 35 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.8
+46:        Time:        0.047        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1501.485        0.016
+46: Performance:       61.798        0.388
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (24 ms)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (165 ms)
 46: [ RUN      ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]:
@@ -84722,9 +84730,9 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.005        0.003      195.1
+46:        Time:        0.219        0.109      199.9
 46:                  (ns/day)    (hour/ns)
-46: Performance:      586.444        0.041
+46: Performance:       13.422        1.788
 46: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883
 46: 
@@ -84738,19 +84746,19 @@
 46: 
 46: 
Reading frame       0 time    0.000   
Reading frame       1 time    0.004   
Reading frame       2 time    0.008   
Reading frame       3 time    0.012   
Reading frame       4 time    0.016   
Last frame          4 time    0.016   
 46: 
-46: NOTE: 13 % of the run time was spent in pair search,
+46: NOTE: 34 % of the run time was spent in pair search,
 46:       you might want to increase nstlist (this has no effect on accuracy)
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.002        0.001      192.3
+46:        Time:        0.048        0.024      199.7
 46:                  (ns/day)    (hour/ns)
-46: Performance:     1437.711        0.017
+46: Performance:       60.546        0.396
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.edr as double precision energy file
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim2.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
Last energy frame read 4 time    0.016         
 46: 
-46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (25 ms)
-46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (652 ms total)
+46: [       OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (168 ms)
+46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (4920 ms total)
 46: 
 46: [----------] 2 tests from Angles1/SimpleMdrunTest
 46: [ RUN      ] Angles1/SimpleMdrunTest.WithinTolerances/0
@@ -84798,12 +84806,12 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.004        0.002      195.8
+46:        Time:        0.399        0.200      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2442.741        0.010
+46: Performance:       22.058        1.088
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_0.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      5 time    0.020         
Reading energy frame      6 time    0.024         
Reading energy frame      7 time    0.028         
Reading energy frame      8 time    0.032         
Reading energy frame      9 time    0.036         
Reading energy frame     10 time    0.040         
Reading energy frame     11 time    0.044         
Reading energy frame     12 time    0.048         
Reading energy frame     13 time    0.050         
Last energy frame read 13 time    0.050         
-46: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/0 (6 ms)
+46: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/0 (209 ms)
 46: [ RUN      ] Angles1/SimpleMdrunTest.WithinTolerances/1
 46: 
 46: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1_input.mdp]:
@@ -84849,18 +84857,18 @@
 46: Writing final coordinates.
 46: 
 46:                Core t (s)   Wall t (s)        (%)
-46:        Time:        0.003        0.002      196.6
+46:        Time:        0.450        0.225      200.0
 46:                  (ns/day)    (hour/ns)
-46: Performance:     2697.676        0.009
+46: Performance:       19.577        1.226
 46: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1.edr as double precision energy file
 46: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      5 time    0.020         
Reading energy frame      6 time    0.024         
Reading energy frame      7 time    0.028         
Reading energy frame      8 time    0.032         
Reading energy frame      9 time    0.036         
Reading energy frame     10 time    0.040         
Reading energy frame     11 time    0.044         
Reading energy frame     12 time    0.048         
Reading energy frame     13 time    0.050         
Last energy frame read 13 time    0.050         
-46: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/1 (6 ms)
-46: [----------] 2 tests from Angles1/SimpleMdrunTest (12 ms total)
+46: [       OK ] Angles1/SimpleMdrunTest.WithinTolerances/1 (233 ms)
+46: [----------] 2 tests from Angles1/SimpleMdrunTest (442 ms total)
 46: 
 46: [----------] Global test environment tear-down
-46: [==========] 65 tests from 7 test cases ran. (4142 ms total)
+46: [==========] 65 tests from 7 test cases ran. (20684 ms total)
 46: [  PASSED  ] 65 tests.
-46/54 Test #46: MdrunNonIntegratorTests .............   Passed    4.19 sec
+46/54 Test #46: MdrunNonIntegratorTests .............   Passed   20.72 sec
 test 47
       Start 47: MdrunTpiTests
 
@@ -84894,7 +84902,7 @@
 47: There are:     1      Other residues
 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 47: This run will generate roughly 0 Mb of data
-47: [       OK ] Simple/TpiTest.ReproducesOutput/0 (301 ms)
+47: [       OK ] Simple/TpiTest.ReproducesOutput/0 (379 ms)
 47: [ RUN      ] Simple/TpiTest.ReproducesOutput/1
 47: Ignoring obsolete mdp entry 'ns_type'
 47: Generated 331705 of the 331705 non-bonded parameter combinations
@@ -84920,13 +84928,13 @@
 47: There are:     1      Other residues
 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
 47: This run will generate roughly 0 Mb of data
-47: [       OK ] Simple/TpiTest.ReproducesOutput/1 (244 ms)
-47: [----------] 2 tests from Simple/TpiTest (545 ms total)
+47: [       OK ] Simple/TpiTest.ReproducesOutput/1 (613 ms)
+47: [----------] 2 tests from Simple/TpiTest (992 ms total)
 47: 
 47: [----------] Global test environment tear-down
-47: [==========] 2 tests from 1 test case ran. (545 ms total)
+47: [==========] 2 tests from 1 test case ran. (992 ms total)
 47: [  PASSED  ] 2 tests.
-47/54 Test #47: MdrunTpiTests .......................   Passed    0.56 sec
+47/54 Test #47: MdrunTpiTests .......................   Passed    1.02 sec
 test 48
       Start 48: MdrunMpiTests
 
@@ -84941,7 +84949,7 @@
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -436212059
+48: Setting the LD random seed to -1241663783
 48: Generated 3 of the 3 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 3 of the 3 1-4 parameter combinations
@@ -84973,20 +84981,20 @@
 48: starting mdrun 'spc2'
 48: 0 steps,      0.0 ps.
 48: 
-48: NOTE: 21 % of the run time was spent in domain decomposition,
-48:       20 % of the run time was spent in pair search,
+48: NOTE: 54 % of the run time was spent in domain decomposition,
+48:       3 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
-48: NOTE: 6 % of the run time was spent communicating energies,
+48: NOTE: 27 % of the run time was spent communicating energies,
 48:       you might want to increase some nst* mdp options
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.001        0.000      321.4
+48:        Time:        0.290        0.088      329.6
 48:                  (ns/day)    (hour/ns)
-48: Performance:      428.861        0.056
+48: Performance:        0.983       24.412
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks (13 ms)
-48: [----------] 1 test from DomainDecompositionSpecialCasesTest (13 ms total)
+48: [       OK ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks (412 ms)
+48: [----------] 1 test from DomainDecompositionSpecialCasesTest (412 ms total)
 48: 
 48: [----------] 4 tests from MimicTest
 48: [ RUN      ] MimicTest.OneQuantumMol
@@ -84995,7 +85003,7 @@
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -1350586895
+48: Setting the LD random seed to 2147307423
 48: Generated 10 of the 10 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 10 of the 10 1-4 parameter combinations
@@ -85029,24 +85037,24 @@
 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 17 % of the run time was spent in domain decomposition,
-48:       13 % of the run time was spent in pair search,
+48: NOTE: 93 % of the run time was spent in domain decomposition,
+48:       3 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.001        0.000      381.5
+48:        Time:        0.130        0.033      399.7
 48:                  (ns/day)    (hour/ns)
-48: Performance:      309.998        0.077
+48: Performance:        2.648        9.065
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.OneQuantumMol (5 ms)
+48: [       OK ] MimicTest.OneQuantumMol (308 ms)
 48: [ RUN      ] MimicTest.AllQuantumMol
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -285286794
+48: Setting the LD random seed to 1065056253
 48: Generated 10 of the 10 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 10 of the 10 1-4 parameter combinations
@@ -85080,24 +85088,24 @@
 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 18 % of the run time was spent in domain decomposition,
-48:       18 % of the run time was spent in pair search,
+48: NOTE: 37 % of the run time was spent in domain decomposition,
+48:       15 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.001        0.000      380.0
+48:        Time:        0.352        0.088      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:      320.555        0.075
+48: Performance:        0.980       24.483
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.AllQuantumMol (4 ms)
+48: [       OK ] MimicTest.AllQuantumMol (243 ms)
 48: [ RUN      ] MimicTest.TwoQuantumMol
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -52562947
+48: Setting the LD random seed to -136447241
 48: Generated 10 of the 10 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 10 of the 10 1-4 parameter combinations
@@ -85131,27 +85139,24 @@
 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 17 % of the run time was spent in domain decomposition,
-48:       17 % of the run time was spent in pair search,
+48: NOTE: 54 % of the run time was spent in domain decomposition,
+48:       10 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
-48: NOTE: 7 % of the run time was spent communicating energies,
-48:       you might want to increase some nst* mdp options
-48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.001        0.000      381.6
+48:        Time:        0.529        0.132      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:      314.300        0.076
+48: Performance:        0.653       36.773
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.TwoQuantumMol (4 ms)
+48: [       OK ] MimicTest.TwoQuantumMol (272 ms)
 48: [ RUN      ] MimicTest.BondCuts
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -4268051
+48: Setting the LD random seed to -276890641
 48: Generated 2211 of the 2211 non-bonded parameter combinations
 48: Generating 1-4 interactions: fudge = 0.5
 48: Generated 2211 of the 2211 1-4 parameter combinations
@@ -85185,31 +85190,31 @@
 48: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms.
 48: 
Reading frame       0 time    0.000   
Last frame          0 time    0.000   
 48: 
-48: NOTE: 15 % of the run time was spent in domain decomposition,
-48:       25 % of the run time was spent in pair search,
+48: NOTE: 39 % of the run time was spent in domain decomposition,
+48:       20 % of the run time was spent in pair search,
 48:       you might want to increase nstlist (this has no effect on accuracy)
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.002        0.001      388.8
+48:        Time:        0.417        0.104      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:      147.612        0.163
+48: Performance:        0.829       28.946
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K
 48: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm
 48: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm
 48: Note that mdrun will redetermine rlist based on the actual pair-list setup
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MimicTest.BondCuts (15 ms)
-48: [----------] 4 tests from MimicTest (28 ms total)
+48: [       OK ] MimicTest.BondCuts (264 ms)
+48: [----------] 4 tests from MimicTest (1087 ms total)
 48: 
 48: [----------] 1 test from MultiSimTerminationTest
 48: [ RUN      ] MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
 48: [       OK ] MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (0 ms)
-48: [----------] 1 test from MultiSimTerminationTest (0 ms total)
+48: [----------] 1 test from MultiSimTerminationTest (1 ms total)
 48: 
 48: [----------] 3 tests from PmeTest
 48: [ RUN      ] PmeTest.ReproducesEnergies
-48: Setting the LD random seed to 1610409599
+48: Setting the LD random seed to -137013253
 48: Generated 8 of the 10 non-bonded parameter combinations
 48: Excluding 2 bonded neighbours molecule type 'Methanol'
 48: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -85253,9 +85258,9 @@
 48: Writing final coordinates.
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.087        0.022      399.4
+48:        Time:        1.590        0.398      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:       83.427        0.288
+48: Performance:        4.563        5.259
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 48: Can not increase nstlist because an NVE ensemble is used
@@ -85274,9 +85279,9 @@
 48: Writing final coordinates.
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.087        0.022      399.3
+48:        Time:        1.466        0.366      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:       83.674        0.287
+48: Performance:        4.951        4.848
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 48: Can not increase nstlist because an NVE ensemble is used
@@ -85295,18 +85300,18 @@
 48: Writing final coordinates.
 48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.084        0.021      399.3
+48:        Time:        0.691        0.173      399.9
 48:                  (ns/day)    (hour/ns)
-48: Performance:       85.924        0.279
+48: Performance:       10.497        2.286
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as double precision energy file
-48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (92 ms)
+48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.001         
Reading energy frame      2 time    0.002         
Reading energy frame      3 time    0.003         
Reading energy frame      4 time    0.004         
Reading energy frame      5 time    0.005         
Reading energy frame      6 time    0.006         
Reading energy frame      7 time    0.007         
Reading energy frame      8 time    0.008         
Reading energy frame      9 time    0.009         
Reading energy frame     10 time    0.010         
Reading energy frame     11 time    0.011         
Reading energy frame     12 time    0.012         
Reading energy frame     13 time    0.013         
Reading energy frame     14 time    0.014         
Reading energy frame     15 time    0.015         
Reading energy frame     16 time    0.016         
Reading energy frame     17 time    0.017         
Reading energy frame     18 time    0.018         
Reading energy frame     19 time    0.019         
Reading energy frame     20 time    0.020         
Last energy frame read 20 time    0.020         [       OK ] PmeTest.ReproducesEnergies (1540 ms)
 48: [ RUN      ] PmeTest.ScalesTheBox
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -893062
+48: Setting the LD random seed to -545325089
 48: Generated 8 of the 10 non-bonded parameter combinations
 48: Excluding 2 bonded neighbours molecule type 'Methanol'
 48: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -85340,10 +85345,14 @@
 48: starting mdrun 'spc-and-methanol'
 48: 0 steps,      0.0 ps.
 48: 
+48: NOTE: 23 % of the run time was spent in domain decomposition,
+48:       3 % of the run time was spent in pair search,
+48:       you might want to increase nstlist (this has no effect on accuracy)
+48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.005        0.001      386.8
+48:        Time:        0.057        0.014      398.8
 48:                  (ns/day)    (hour/ns)
-48: Performance:       72.095        0.333
+48: Performance:        6.040        3.974
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K
 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -85352,14 +85361,14 @@
 48: Calculating fourier grid dimensions for X Y Z
 48: Using a fourier grid of 28x28x28, spacing 0.107 0.107 0.107
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] PmeTest.ScalesTheBox (9 ms)
+48: [       OK ] PmeTest.ScalesTheBox (80 ms)
 48: [ RUN      ] PmeTest.ScalesTheBoxWithWalls
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]:
 48:   For a correct single-point energy evaluation with nsteps = 0, use
 48:   continuation = yes to avoid constraining the input coordinates.
 48: 
-48: Setting the LD random seed to -8537737
+48: Setting the LD random seed to -536961289
 48: Generated 8 of the 10 non-bonded parameter combinations
 48: Excluding 2 bonded neighbours molecule type 'Methanol'
 48: Excluding 2 bonded neighbours molecule type 'SOL'
@@ -85394,10 +85403,14 @@
 48: starting mdrun 'spc-and-methanol'
 48: 0 steps,      0.0 ps.
 48: 
+48: NOTE: 19 % of the run time was spent in domain decomposition,
+48:       1 % of the run time was spent in pair search,
+48:       you might want to increase nstlist (this has no effect on accuracy)
+48: 
 48:                Core t (s)   Wall t (s)        (%)
-48:        Time:        0.019        0.005      396.0
+48:        Time:        0.162        0.071      228.1
 48:                  (ns/day)    (hour/ns)
-48: Performance:       18.390        1.305
+48: Performance:        1.220       19.671
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K
 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm
@@ -85406,8 +85419,8 @@
 48: Calculating fourier grid dimensions for X Y Z
 48: Using a fourier grid of 28x28x128, spacing 0.107 0.107 0.118
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] PmeTest.ScalesTheBoxWithWalls (19 ms)
-48: [----------] 3 tests from PmeTest (120 ms total)
+48: [       OK ] PmeTest.ScalesTheBoxWithWalls (748 ms)
+48: [----------] 3 tests from PmeTest (2368 ms total)
 48: 
 48: [----------] 1 test from ReplicaExchangeTerminationTest
 48: [ RUN      ] ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts
@@ -85465,7 +85478,7 @@
 48: Norm of force     =  8.77219865482160e+01
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (254 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (606 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -85519,7 +85532,7 @@
 48: Norm of force     =  1.84530029253760e+02
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (240 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (907 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -85571,7 +85584,7 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         turning H bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (71 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (893 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -85630,7 +85643,7 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning H bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (73 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (2385 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -85692,7 +85705,7 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    3.000         
Last energy frame read 2 time    3.000         turning all bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (14 ms)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (855 ms)
 48: [ RUN      ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -85761,8 +85774,8 @@
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         turning all bonds into constraints...
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (14 ms)
-48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (666 ms total)
+48: [       OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (638 ms)
+48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (6285 ms total)
 48: 
 48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0
@@ -85804,7 +85817,7 @@
 48: Norm of force     =  1.63839399694378e+00
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Last energy frame read 0 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (4 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (210 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]:
@@ -85847,7 +85860,7 @@
 48: Norm of force     =  1.05251679559258e+00
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Last energy frame read 1 time    0.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (5 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (220 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]:
@@ -85872,7 +85885,7 @@
 48: 
 48: There was 1 warning
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (2 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]:
@@ -85923,7 +85936,7 @@
 48: Norm of force     =  4.62274878665467e+03
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    1.000         
Reading energy frame      2 time    2.000         
Reading energy frame      3 time    3.000         
Reading energy frame      4 time    4.000         
Last energy frame read 4 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (73 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (1902 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]:
@@ -85977,7 +85990,7 @@
 48: Norm of force     =  3.61390332564874e+03
 48: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file
 48: 
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.000         
Reading energy frame      2 time    4.000         
Last energy frame read 2 time    4.000         This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (132 ms)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (656 ms)
 48: [ RUN      ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5
 48: 
 48: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]:
@@ -86010,16 +86023,16 @@
 48: 
 48: There was 1 warning
 48: This run will generate roughly 0 Mb of data
-48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (70 ms)
-48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (287 ms total)
+48: [       OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (66 ms)
+48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (3057 ms total)
 48: 
 48: [----------] Global test environment tear-down
-48: [==========] 22 tests from 7 test cases ran. (1114 ms total)
+48: [==========] 22 tests from 7 test cases ran. (13210 ms total)
 48: [  PASSED  ] 22 tests.
 48: 
 48:   YOU HAVE 4 DISABLED TESTS
 48: 
-48/54 Test #48: MdrunMpiTests .......................   Passed    1.14 sec
+48/54 Test #48: MdrunMpiTests .......................   Passed   13.25 sec
 test 49
       Start 49: MdrunMpiCoordinationTestsOneRank
 
@@ -86068,9 +86081,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.003        0.003       97.9
+49:        Time:        0.006        0.006       99.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:      514.669        0.047
+49: Performance:      263.352        0.091
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -86110,9 +86123,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:      995.089        0.024
+49: Performance:     2072.181        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86153,10 +86166,13 @@
 49: 
 49: Writing final coordinates.
 49: 
+49: NOTE: 26 % of the run time was spent in pair search,
+49:       you might want to increase nstlist (this has no effect on accuracy)
+49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       96.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1092.110        0.022
+49: Performance:     1921.583        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86198,9 +86214,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.009        0.009       99.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1213.671        0.020
+49: Performance:      169.741        0.141
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
@@ -86242,9 +86258,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1395.378        0.017
+49: Performance:     2678.519        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
@@ -86286,13 +86302,13 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1240.055        0.019
+49: Performance:     2693.745        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-49: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (70 ms)
-49: [----------] 1 test from BasicPropagators/PeriodicActionsTest (70 ms total)
+49: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (102 ms)
+49: [----------] 1 test from BasicPropagators/PeriodicActionsTest (103 ms total)
 49: 
 49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -86335,9 +86351,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1721.798        0.014
+49: Performance:     2729.550        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -86377,9 +86393,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1651.191        0.015
+49: Performance:     2655.428        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86421,9 +86437,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1713.656        0.014
+49: Performance:     2675.030        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86465,9 +86481,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1600.154        0.015
+49: Performance:     2691.391        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
@@ -86509,9 +86525,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.5
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1502.950        0.016
+49: Performance:     2781.306        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
@@ -86553,12 +86569,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1802.397        0.013
+49: Performance:     2602.701        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (35 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (53 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -86599,9 +86615,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.005        0.005       99.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2261.598        0.011
+49: Performance:      308.678        0.078
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -86641,9 +86657,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2204.148        0.011
+49: Performance:     2685.525        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86685,9 +86701,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.9
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1931.221        0.012
+49: Performance:     2590.662        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86729,9 +86745,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2103.310        0.011
+49: Performance:     2591.752        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
@@ -86773,9 +86789,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.5
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1699.474        0.014
+49: Performance:     2610.421        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
@@ -86817,12 +86833,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.6
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1591.473        0.015
+49: Performance:     2459.319        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (27 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (50 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -86865,7 +86881,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2326.508        0.010
+49: Performance:     2709.144        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -86907,7 +86923,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2316.013        0.010
+49: Performance:     2614.853        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86949,9 +86965,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2467.198        0.010
+49: Performance:     2573.347        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -86993,9 +87009,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2453.442        0.010
+49: Performance:     2648.579        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
@@ -87037,9 +87053,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.9
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2187.711        0.011
+49: Performance:     2664.617        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
@@ -87081,12 +87097,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2468.187        0.010
+49: Performance:      167.521        0.143
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (24 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (50 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -87123,9 +87139,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2397.118        0.010
+49: Performance:      167.928        0.143
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -87161,9 +87177,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2291.035        0.010
+49: Performance:     2753.953        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87201,9 +87217,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2361.285        0.010
+49: Performance:     2697.283        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87241,9 +87257,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2370.371        0.010
+49: Performance:     2548.860        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
@@ -87281,9 +87297,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.9
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2376.772        0.010
+49: Performance:     2147.297        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
@@ -87321,12 +87337,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2352.269        0.010
+49: Performance:     2555.203        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (46 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -87363,9 +87379,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2517.611        0.010
+49: Performance:     2634.984        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -87401,9 +87417,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2353.168        0.010
+49: Performance:     2654.284        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87441,9 +87457,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2303.026        0.010
+49: Performance:     2649.718        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87481,9 +87497,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2309.934        0.010
+49: Performance:     2512.477        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
@@ -87521,9 +87537,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2315.142        0.010
+49: Performance:     2536.267        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
@@ -87560,16 +87576,13 @@
 49: 
 49: Writing final coordinates.
 49: 
-49: NOTE: 21 % of the run time was spent in pair search,
-49:       you might want to increase nstlist (this has no effect on accuracy)
-49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.5
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1835.695        0.013
+49: Performance:     2527.942        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (40 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -87606,9 +87619,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2354.967        0.010
+49: Performance:     2680.850        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -87644,9 +87657,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2295.303        0.010
+49: Performance:     2588.485        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87684,9 +87697,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2199.427        0.011
+49: Performance:     2575.499        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87724,9 +87737,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       75.7
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1809.810        0.013
+49: Performance:     2534.181        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
@@ -87764,9 +87777,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2346.893        0.010
+49: Performance:     2624.880        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
@@ -87804,12 +87817,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2292.740        0.010
+49: Performance:     2531.057        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (55 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -87850,9 +87863,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.9
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2453.442        0.010
+49: Performance:     2744.140        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -87892,9 +87905,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.005        0.005       99.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2314.273        0.010
+49: Performance:      304.754        0.079
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87936,9 +87949,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2305.611        0.010
+49: Performance:      168.465        0.142
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -87980,9 +87993,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2285.087        0.011
+49: Performance:     2747.812        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
@@ -88024,9 +88037,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2432.133        0.010
+49: Performance:     2719.909        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
@@ -88068,12 +88081,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2429.256        0.010
+49: Performance:     2533.139        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (22 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (45 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -88121,9 +88134,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2434.055        0.010
+49: Performance:     2548.860        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -88170,9 +88183,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2293.594        0.010
+49: Performance:     2641.764        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88221,9 +88234,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2321.249        0.010
+49: Performance:     2601.602        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88272,9 +88285,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2309.068        0.010
+49: Performance:     2602.701        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
@@ -88323,9 +88336,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2309.068        0.010
+49: Performance:     2586.311        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
@@ -88374,12 +88387,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2343.322        0.010
+49: Performance:     2405.542        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (55 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -88420,9 +88433,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       92.9
+49:        Time:        0.001        0.001       95.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2297.872        0.010
+49: Performance:     2762.598        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -88462,9 +88475,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.009        0.009       99.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2226.452        0.011
+49: Performance:      167.809        0.143
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88506,9 +88519,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.005        0.005       99.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2232.908        0.011
+49: Performance:      300.151        0.080
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88550,9 +88563,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.007        0.007       99.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1769.269        0.014
+49: Performance:      214.670        0.112
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 49: 
@@ -88596,7 +88609,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2245.933        0.011
+49: Performance:     2614.853        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 49: 
@@ -88638,12 +88651,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2252.502        0.011
+49: Performance:     2303.887        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (41 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -88680,9 +88693,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2460.301        0.010
+49: Performance:     2730.760        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -88718,9 +88731,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       96.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2469.176        0.010
+49: Performance:     2073.576        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88758,9 +88771,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       96.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2285.935        0.010
+49: Performance:     2455.398        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88800,7 +88813,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2327.387        0.010
+49: Performance:     2602.701        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 49: 
@@ -88838,9 +88851,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2289.332        0.010
+49: Performance:     2581.976        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 49: 
@@ -88878,12 +88891,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2210.475        0.011
+49: Performance:     2595.027        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (25 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -88920,9 +88933,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2287.632        0.010
+49: Performance:     2725.926        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -88960,7 +88973,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2189.266        0.011
+49: Performance:     2557.324        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -88998,9 +89011,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2159.339        0.011
+49: Performance:     2508.385        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89038,9 +89051,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       92.8
+49:        Time:        0.001        0.001       96.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2092.593        0.011
+49: Performance:     2009.982        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 49: 
@@ -89078,9 +89091,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2144.307        0.011
+49: Performance:     2556.263        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 49: 
@@ -89118,12 +89131,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       93.8
+49:        Time:        0.001        0.001       96.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2216.041        0.011
+49: Performance:     2149.544        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (24 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (27 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -89160,9 +89173,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2405.542        0.010
+49: Performance:     2703.200        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -89198,9 +89211,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2251.679        0.011
+49: Performance:     2534.181        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89238,9 +89251,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2322.999        0.010
+49: Performance:     2525.869        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89278,9 +89291,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2378.608        0.010
+49: Performance:     2523.799        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 49: 
@@ -89318,9 +89331,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2166.934        0.011
+49: Performance:     2544.648        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 49: 
@@ -89358,9 +89371,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2263.260        0.011
+49: Performance:     2510.429        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (23 ms)
@@ -89404,9 +89417,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2103.310        0.011
+49: Performance:     2309.934        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -89446,9 +89459,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.2
+49:        Time:        0.001        0.001       97.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1936.076        0.012
+49: Performance:     2267.425        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89490,9 +89503,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.7
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2041.960        0.012
+49: Performance:     2265.757        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89534,9 +89547,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2033.199        0.012
+49: Performance:     2273.282        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 49: 
@@ -89578,9 +89591,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.001        0.001       98.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2084.098        0.012
+49: Performance:     1405.886        0.017
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 49: 
@@ -89622,9 +89635,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.6
+49:        Time:        0.001        0.001       98.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2000.193        0.012
+49: Performance:     1520.008        0.016
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (23 ms)
@@ -89668,9 +89681,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       96.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2524.833        0.010
+49: Performance:     1683.222        0.014
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -89710,9 +89723,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2186.934        0.011
+49: Performance:     2531.057        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89754,9 +89767,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2140.582        0.011
+49: Performance:     2520.701        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -89798,9 +89811,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       96.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1778.462        0.013
+49: Performance:     1585.738        0.015
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 49: 
@@ -89842,9 +89855,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.9
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2145.054        0.011
+49: Performance:     2385.054        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 49: 
@@ -89888,10 +89901,10 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2188.488        0.011
+49: Performance:     2477.119        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (23 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (24 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -89928,9 +89941,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.2
+49:        Time:        0.001        0.001       97.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2069.397        0.012
+49: Performance:     2422.569        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -89966,9 +89979,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1937.903        0.012
+49: Performance:     2291.888        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90006,9 +90019,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2031.858        0.012
+49: Performance:     2265.757        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90048,7 +90061,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2028.513        0.012
+49: Performance:     2288.482        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 49: 
@@ -90086,9 +90099,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.0
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2013.266        0.012
+49: Performance:     2274.121        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 49: 
@@ -90126,9 +90139,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1986.647        0.012
+49: Performance:     2249.213        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (23 ms)
@@ -90168,9 +90181,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2330.909        0.010
+49: Performance:     2642.897        0.009
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -90208,7 +90221,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2007.362        0.012
+49: Performance:     2544.648        0.009
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90246,9 +90259,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2095.440        0.011
+49: Performance:     2439.839        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90286,9 +90299,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2138.353        0.011
+49: Performance:     2514.528        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 49: 
@@ -90326,9 +90339,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2204.148        0.011
+49: Performance:     2427.342        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 49: 
@@ -90366,12 +90379,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.9
+49:        Time:        0.001        0.001       96.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2176.888        0.011
+49: Performance:     2208.890        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
-49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (24 ms)
+49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (23 ms)
 49: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -90408,9 +90421,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.001        0.001       96.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2107.627        0.011
+49: Performance:     2117.043        0.011
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -90446,9 +90459,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.7
+49:        Time:        0.001        0.001       96.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1951.408        0.012
+49: Performance:     2059.710        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90486,9 +90499,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.001        0.001       96.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2029.850        0.012
+49: Performance:     2141.326        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90526,9 +90539,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.4
+49:        Time:        0.001        0.001       96.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2027.178        0.012
+49: Performance:     2134.648        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 49: 
@@ -90566,9 +90579,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       90.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2064.542        0.012
+49: Performance:     2171.517        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 49: 
@@ -90606,9 +90619,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.4
+49:        Time:        0.001        0.001       96.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2050.114        0.012
+49: Performance:     2318.628        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (23 ms)
@@ -90648,9 +90661,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.001        0.001       96.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1910.854        0.013
+49: Performance:     2151.045        0.011
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -90686,9 +90699,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.001        0.001       96.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1710.326        0.014
+49: Performance:     2077.071        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90726,9 +90739,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.4
+49:        Time:        0.001        0.001       96.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1798.188        0.013
+49: Performance:     2037.907        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -90766,9 +90779,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.3
+49:        Time:        0.001        0.001       96.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1810.874        0.013
+49: Performance:     2033.199        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 49: 
@@ -90806,9 +90819,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.001        0.001       96.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1694.333        0.014
+49: Performance:     2052.163        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 49: 
@@ -90848,11 +90861,11 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       96.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1795.568        0.013
+49: Performance:     2008.016        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 49: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (25 ms)
-49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (434 ms total)
+49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (651 ms total)
 49: 
 49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -90903,9 +90916,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2359.477        0.010
+49: Performance:     2331.792        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -90953,9 +90966,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2220.834        0.011
+49: Performance:     2280.012        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91005,9 +91018,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2202.572        0.011
+49: Performance:     2317.755        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91057,9 +91070,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2027.845        0.012
+49: Performance:     2297.872        0.010
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
@@ -91109,9 +91122,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2222.436        0.011
+49: Performance:     2193.163        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 49: 
@@ -91161,12 +91174,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2232.099        0.011
+49: Performance:     2274.961        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1439 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (1492 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -91215,9 +91228,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2270.768        0.011
+49: Performance:     2292.740        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -91265,9 +91278,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.002        0.002       98.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2145.054        0.011
+49: Performance:      674.690        0.036
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91317,9 +91330,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2070.092        0.012
+49: Performance:     2263.260        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91369,9 +91382,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       93.6
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2108.348        0.011
+49: Performance:     2268.260        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
@@ -91421,9 +91434,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.009        0.009       99.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2178.428        0.011
+49: Performance:      167.339        0.143
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 49: 
@@ -91473,12 +91486,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2060.399        0.012
+49: Performance:     2193.944        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1406 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1560 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -91523,9 +91536,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2284.239        0.011
+49: Performance:     2406.482        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -91569,9 +91582,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2131.693        0.011
+49: Performance:     2266.591        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91617,9 +91630,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2169.223        0.011
+49: Performance:     2225.648        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91665,9 +91678,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2164.650        0.011
+49: Performance:     2177.658        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
@@ -91713,9 +91726,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.5
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2133.170        0.011
+49: Performance:     2276.642        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 49: 
@@ -91761,12 +91774,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.6
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2067.313        0.012
+49: Performance:     2170.752        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1440 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (1499 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -91811,9 +91824,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       94.8
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2205.726        0.011
+49: Performance:     2340.651        0.010
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -91857,9 +91870,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.4
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2033.199        0.012
+49: Performance:     2111.238        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91905,9 +91918,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.1
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2092.593        0.011
+49: Performance:     1027.965        0.023
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -91953,9 +91966,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2094.016        0.011
+49: Performance:     2191.602        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
@@ -92001,9 +92014,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.002        0.002       98.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2104.028        0.011
+49: Performance:      800.909        0.030
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 49: 
@@ -92049,12 +92062,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.3
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2109.792        0.011
+49: Performance:     2163.130        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1445 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1500 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -92099,9 +92112,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.9
+49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2077.071        0.012
+49: Performance:     2183.059        0.011
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -92145,9 +92158,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.2
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1943.405        0.012
+49: Performance:     2048.070        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92193,9 +92206,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.1
+49:        Time:        0.002        0.002       98.2
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2048.751        0.012
+49: Performance:      789.820        0.030
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92243,7 +92256,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       96.0
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2011.951        0.012
+49: Performance:     2089.045        0.011
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
@@ -92289,9 +92302,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       96.0
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2019.205        0.012
+49: Performance:     1956.365        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 49: 
@@ -92337,12 +92350,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       93.9
+49:        Time:        0.001        0.001       96.1
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2019.867        0.012
+49: Performance:     2074.274        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1415 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1481 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -92387,9 +92400,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.4
+49:        Time:        0.001        0.001       95.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2041.284        0.012
+49: Performance:     2162.371        0.011
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -92433,9 +92446,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1955.744        0.012
+49: Performance:     1948.322        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92481,9 +92494,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.3
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1942.792        0.012
+49: Performance:     2059.022        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92529,9 +92542,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.8
+49:        Time:        0.001        0.001       95.9
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1978.989        0.012
+49: Performance:     2045.350        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
@@ -92577,9 +92590,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.2
+49:        Time:        0.001        0.001       95.7
 49:                  (ns/day)    (hour/ns)
-49: Performance:     2025.179        0.012
+49: Performance:     2042.637        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 49: 
@@ -92625,12 +92638,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       95.7
+49:        Time:        0.001        0.001       95.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1889.173        0.013
+49: Performance:     2027.178        0.012
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1451 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (1543 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -92679,9 +92692,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.002        0.002       98.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1935.468        0.012
+49: Performance:      956.762        0.025
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -92729,9 +92742,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1861.769        0.013
+49: Performance:     1836.243        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92781,9 +92794,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.002        0.002       98.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1867.979        0.013
+49: Performance:      917.711        0.026
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -92835,7 +92848,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1792.433        0.013
+49: Performance:     1825.361        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
@@ -92885,9 +92898,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.002        0.002       98.5
+49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:      951.002        0.025
+49: Performance:     1841.182        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 49: 
@@ -92937,12 +92950,12 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.001        0.001       97.8
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1882.247        0.013
+49: Performance:     1854.483        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1467 ms)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (1476 ms)
 49: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -92987,9 +93000,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.5
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1826.443        0.013
+49: Performance:     1881.672        0.013
 49: 
 49: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 49:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -93035,7 +93048,7 @@
 49:                Core t (s)   Wall t (s)        (%)
 49:        Time:        0.001        0.001       97.5
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1851.140        0.013
+49: Performance:     1718.916        0.014
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93081,9 +93094,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.4
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1771.813        0.014
+49: Performance:     1785.679        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93129,9 +93142,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1848.918        0.013
+49: Performance:     1796.091        0.013
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
@@ -93177,9 +93190,9 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.002        0.002       97.4
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:      818.031        0.029
+49: Performance:     1772.323        0.014
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 49: 
@@ -93225,18 +93238,18 @@
 49: Writing final coordinates.
 49: 
 49:                Core t (s)   Wall t (s)        (%)
-49:        Time:        0.001        0.001       97.3
+49:        Time:        0.001        0.001       97.6
 49:                  (ns/day)    (hour/ns)
-49: Performance:     1856.719        0.013
+49: Performance:     1737.336        0.014
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 49: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1467 ms)
-49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (11530 ms total)
+49: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (1457 ms)
+49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (12008 ms total)
 49: 
 49: [----------] Global test environment tear-down
-49: [==========] 27 tests from 3 test cases ran. (12034 ms total)
+49: [==========] 27 tests from 3 test cases ran. (12762 ms total)
 49: [  PASSED  ] 27 tests.
-49/54 Test #49: MdrunMpiCoordinationTestsOneRank ....   Passed   12.06 sec
+49/54 Test #49: MdrunMpiCoordinationTestsOneRank ....   Passed   12.80 sec
 test 50
       Start 50: MdrunMpiCoordinationTestsTwoRanks
 
@@ -93289,18 +93302,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.9%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+50:  Average load imbalance: 2.6%.
+50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 50: 
 50: 
-50: NOTE: 40 % of the run time was spent communicating energies,
+50: NOTE: 41 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.003        0.002      195.1
+50:        Time:        0.003        0.002      195.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:      979.038        0.025
+50: Performance:      935.621        0.026
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -93344,18 +93357,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.3%.
+50:  Average load imbalance: 2.5%.
 50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
 50:  Part of the total run time spent waiting due to load imbalance: 1.1%.
 50: 
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      191.1
+50:        Time:        0.001        0.001      191.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1922.182        0.012
+50: Performance:     1919.487        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93401,18 +93414,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.9%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+50:  Average load imbalance: 3.6%.
+50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.6%.
 50: 
 50: 
 50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.8
+50:        Time:        0.001        0.001      191.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2110.154        0.011
+50: Performance:     2098.295        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93458,8 +93471,8 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.6%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Average load imbalance: 2.5%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
 50:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 50: 
 50: 
@@ -93467,9 +93480,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      191.1
+50:        Time:        0.001        0.001      190.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2101.516        0.011
+50: Performance:     2126.543        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
@@ -93515,18 +93528,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.2%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+50:  Average load imbalance: 2.5%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 50: 
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.5
+50:        Time:        0.001        0.001      190.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2118.863        0.011
+50: Performance:     2143.934        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
@@ -93572,22 +93585,22 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.1%.
+50:  Average load imbalance: 2.2%.
 50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
 50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 50: 
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.9
+50:        Time:        0.001        0.001      191.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2010.310        0.012
+50: Performance:     2144.680        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-50: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (264 ms)
-50: [----------] 1 test from BasicPropagators/PeriodicActionsTest (264 ms total)
+50: [       OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (673 ms)
+50: [----------] 1 test from BasicPropagators/PeriodicActionsTest (673 ms total)
 50: 
 50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -93633,19 +93646,29 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.0%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+50:  DLB was turned on during the run due to measured imbalance.
+50:  Average load imbalance: 37.4%.
+50:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.7%.
+50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50: 
+50: NOTE: 12.7 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
+50: NOTE: 19 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.7
+50:        Time:        0.976        0.504      193.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1999.868        0.012
+50: Performance:        2.915        8.234
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -93688,19 +93711,29 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 0.9%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+50:  DLB was turned on during the run due to measured imbalance.
+50:  Average load imbalance: 39.3%.
+50:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 13.5%.
+50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50: 
+50: NOTE: 13.5 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
+50: NOTE: 19 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      191.0
+50:        Time:        0.992        0.512      193.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1875.656        0.013
+50: Performance:        2.869        8.365
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93745,19 +93778,29 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.8%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  DLB was turned on during the run due to measured imbalance.
+50:  Average load imbalance: 37.4%.
+50:  The balanceable part of the MD step is 34%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 12.8%.
+50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
+50: 
+50: NOTE: 12.8 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You can consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
+50: NOTE: 19 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 16 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.0
+50:        Time:        0.976        0.504      193.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2017.221        0.012
+50: Performance:        2.914        8.235
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -93803,18 +93846,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.6%.
+50:  Average load imbalance: 1.5%.
 50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.4
+50:        Time:        0.001        0.001      191.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1957.608        0.012
+50: Performance:     2106.906        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
@@ -93859,19 +93902,24 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.7%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  DLB was turned on during the run due to measured imbalance.
+50:  Average load imbalance: 7.2%.
+50:  The balanceable part of the MD step is 43%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 3.1%.
+50:  Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 %
 50: 
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 10 % of the run time was spent in domain decomposition,
+50:       5 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 26 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.6
+50:        Time:        0.001        0.001      191.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1971.390        0.012
+50: Performance:     1885.415        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
@@ -93917,21 +93965,21 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.0%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Average load imbalance: 1.9%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
 50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.5
+50:        Time:        0.001        0.001      191.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2019.867        0.012
+50: Performance:     2048.410        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (260 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (4032 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -93976,18 +94024,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.7%.
+50:  Average load imbalance: 1.5%.
 50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.001        0.001      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1902.592        0.013
+50: Performance:     2000.842        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -94031,18 +94079,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.3%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+50:  Average load imbalance: 1.9%.
+50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.3
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1884.550        0.013
+50: Performance:     2017.221        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94088,9 +94136,9 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.1%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+50:  Average load imbalance: 1.6%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
@@ -94099,7 +94147,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1924.885        0.012
+50: Performance:     2083.393        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94145,18 +94193,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 0.4%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.2%.
+50:  Average load imbalance: 1.2%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
 50: 
-50: NOTE: 28 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.0
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1873.090        0.013
+50: Performance:     2056.960        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
@@ -94202,18 +94250,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.3%.
-50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+50:  Average load imbalance: 1.6%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
 50: 
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.0
+50:        Time:        0.001        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1817.821        0.013
+50: Performance:     2046.369        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
@@ -94259,21 +94307,21 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.2%.
+50:  Average load imbalance: 0.8%.
 50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 50: 
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.6
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1967.298        0.012
+50: Performance:     2031.858        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (264 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (230 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -94318,18 +94366,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.7%.
+50:  Average load imbalance: 1.1%.
 50:  The balanceable part of the MD step is 45%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 50: 
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1931.826        0.012
+50: Performance:     1994.042        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -94373,18 +94421,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.3%.
+50:  Average load imbalance: 2.0%.
 50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.9
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1887.148        0.013
+50: Performance:     2035.551        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94430,18 +94478,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.8%.
+50:  Average load imbalance: 1.5%.
 50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.0
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1894.402        0.013
+50: Performance:     2007.035        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94487,18 +94535,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.7%.
+50:  Average load imbalance: 1.8%.
 50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
 50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.6
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1928.198        0.012
+50: Performance:     2007.035        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
@@ -94544,18 +94592,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.9%.
+50:  Average load imbalance: 1.0%.
 50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 50: 
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.0
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1923.082        0.012
+50: Performance:     2056.616        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
@@ -94601,21 +94649,21 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.5%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+50:  Average load imbalance: 1.2%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
 50: 
 50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.001        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1942.180        0.012
+50: Performance:     1931.523        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (276 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (207 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -94653,13 +94701,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 24 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.988        0.526      187.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2050.114        0.012
+50: Performance:        2.793        8.592
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -94696,13 +94744,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 25 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.912        0.502      181.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2118.499        0.011
+50: Performance:        2.927        8.200
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94745,9 +94793,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.1
+50:        Time:        0.001        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2087.629        0.011
+50: Performance:     2254.976        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -94790,9 +94838,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.6
+50:        Time:        0.001        0.001      190.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2115.589        0.011
+50: Performance:     2068.354        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
@@ -94831,13 +94879,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 21 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.752        0.392      191.8
+50:        Time:        0.001        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:        3.747        6.404
+50: Performance:     2250.856        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
@@ -94876,16 +94924,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.7
+50:        Time:        0.001        0.001      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2245.523        0.011
+50: Performance:     2282.547        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (1437 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (3482 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -94923,13 +94971,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.2
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2142.070        0.011
+50: Performance:     2031.858        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -94966,13 +95014,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent in domain decomposition,
+50:       0 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 14 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.3
+50:        Time:        0.341        0.171      199.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2147.297        0.011
+50: Performance:        8.606        2.789
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95015,9 +95067,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.3
+50:        Time:        0.001        0.001      188.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2210.475        0.011
+50: Performance:     2120.686        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95060,9 +95112,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.0
+50:        Time:        0.001        0.001      189.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2134.278        0.011
+50: Performance:     2202.966        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
@@ -95101,13 +95153,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.0
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2076.721        0.012
+50: Performance:        3.747        6.404
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
@@ -95146,16 +95198,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.5
+50:        Time:        0.752        0.392      191.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2163.890        0.011
+50: Performance:        3.747        6.405
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (273 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (3430 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -95193,13 +95245,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.3
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2111.600        0.011
+50: Performance:        3.747        6.404
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -95236,13 +95288,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2179.969        0.011
+50: Performance:        3.748        6.403
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95281,13 +95333,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 75 % of the run time was spent in domain decomposition,
+50:       1 % of the run time was spent in pair search,
+50:       you might want to increase nstlist (this has no effect on accuracy)
+50: 
+50: NOTE: 8 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.6
+50:        Time:        0.006        0.003      197.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2184.995        0.011
+50: Performance:      489.577        0.049
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95330,9 +95386,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.5
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2102.951        0.011
+50: Performance:     2186.934        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
@@ -95375,9 +95431,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.5
+50:        Time:        0.001        0.001      189.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2076.721        0.012
+50: Performance:     2199.427        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
@@ -95416,16 +95472,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 32 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.1
+50:        Time:        0.001        0.001      188.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2064.888        0.012
+50: Performance:     2163.890        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (190 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (2898 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -95467,13 +95523,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 21 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.752        0.392      191.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2140.582        0.011
+50: Performance:        3.747        6.404
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -95514,13 +95570,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 19 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.732        0.366      200.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2132.431        0.011
+50: Performance:        4.012        5.982
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95567,9 +95623,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.2
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2124.709        0.011
+50: Performance:     2243.071        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95612,13 +95668,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.2
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2172.283        0.011
+50: Performance:     2220.834        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
@@ -95667,7 +95723,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2119.227        0.011
+50: Performance:     2222.036        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
@@ -95710,16 +95766,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.1
+50:        Time:        0.001        0.001      190.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2188.877        0.011
+50: Performance:     2178.813        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (283 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (2165 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -95772,9 +95828,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2022.519        0.012
+50: Performance:     2119.227        0.011
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -95826,9 +95882,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.5
+50:        Time:        0.001        0.001      188.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2056.960        0.012
+50: Performance:     2219.634        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95882,9 +95938,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.8
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2069.744        0.012
+50: Performance:     2163.510        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -95938,9 +95994,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.1
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2109.431        0.011
+50: Performance:     2193.163        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
@@ -95994,9 +96050,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.0
+50:        Time:        0.001        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2063.850        0.012
+50: Performance:     2167.315        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
@@ -96046,16 +96102,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.3
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2040.269        0.012
+50: Performance:     2153.301        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (213 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (267 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
@@ -96101,9 +96157,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.8
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2023.183        0.012
+50: Performance:     2129.851        0.011
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -96148,9 +96204,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.0
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2026.511        0.012
+50: Performance:     2193.163        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96193,13 +96249,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.4
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2050.797        0.012
+50: Performance:     2131.693        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96246,9 +96302,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.7
+50:        Time:        0.001        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2009.982        0.012
+50: Performance:     2144.307        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 50: 
@@ -96291,13 +96347,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.7
+50:        Time:        0.001        0.001      189.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2038.582        0.012
+50: Performance:     2139.838        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
 50: 
@@ -96340,16 +96396,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 21 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        1.504        0.768      195.7
+50:        Time:        0.001        0.001      189.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:        1.912       12.555
+50: Performance:     2139.095        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (1733 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (273 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
@@ -96393,7 +96449,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.001        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2105.466        0.011
+50: Performance:     2168.460        0.011
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -96436,7 +96492,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.001        0.001      190.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2099.010        0.011
+50: Performance:     2170.369        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96479,9 +96535,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.001        0.001      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2162.371        0.011
+50: Performance:     2138.724        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96524,9 +96580,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.0
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2099.367        0.011
+50: Performance:     2148.794        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 50: 
@@ -96569,9 +96625,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.4
+50:        Time:        0.001        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2131.325        0.011
+50: Performance:     2176.888        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
 50: 
@@ -96614,12 +96670,12 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.4
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2082.689        0.012
+50: Performance:     2198.642        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (885 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (251 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
@@ -96657,13 +96713,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2010.966        0.012
+50: Performance:     2074.973        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -96704,9 +96760,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.7
+50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2076.721        0.012
+50: Performance:     2125.442        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96745,13 +96801,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.5
+50:        Time:        0.001        0.001      190.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1944.018        0.012
+50: Performance:     2124.343        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -96790,13 +96846,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 21 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.752        0.392      191.8
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:        3.747        6.405
+50: Performance:     2114.136        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 50: 
@@ -96835,13 +96891,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.5
+50:        Time:        0.001        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2083.393        0.012
+50: Performance:     2139.466        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
 50: 
@@ -96880,16 +96936,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2085.862        0.012
+50: Performance:     2115.952        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (1290 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (238 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
@@ -96927,13 +96983,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.001        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2071.136        0.012
+50: Performance:     2065.580        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -96970,13 +97026,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.9
+50:        Time:        0.001        0.001      189.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2008.016        0.012
+50: Performance:     2139.466        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97015,13 +97071,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.001        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2091.527        0.011
+50: Performance:     2114.862        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97060,13 +97116,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2087.629        0.011
+50: Performance:     2108.709        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 50: 
@@ -97109,9 +97165,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.0
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2134.648        0.011
+50: Performance:     2110.877        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
 50: 
@@ -97150,16 +97206,16 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      188.4
+50:        Time:        0.001        0.001      188.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2052.847        0.012
+50: Performance:     2125.075        0.011
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (200 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (246 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
@@ -97204,15 +97260,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.6%.
-50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.4%.
+50:  Average load imbalance: 1.8%.
+50:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.002        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1506.626        0.016
+50: Performance:     1509.949        0.016
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -97256,15 +97312,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.4%.
-50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+50:  Average load imbalance: 2.2%.
+50:  The balanceable part of the MD step is 53%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.2%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.8
+50:        Time:        0.002        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1526.222        0.016
+50: Performance:     1498.199        0.016
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97310,15 +97366,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.7%.
-50:  The balanceable part of the MD step is 54%, load imbalance is computed from this.
+50:  Average load imbalance: 1.6%.
+50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
 50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.8
+50:        Time:        0.002        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1514.031        0.016
+50: Performance:     1534.203        0.016
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97364,15 +97420,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.8%.
-50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.0%.
+50:  Average load imbalance: 1.0%.
+50:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.9
+50:        Time:        0.002        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1513.473        0.016
+50: Performance:     1543.815        0.016
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 50: 
@@ -97418,15 +97474,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.4%.
-50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+50:  Average load imbalance: 1.3%.
+50:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
 50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.7
+50:        Time:        0.002        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1530.582        0.016
+50: Performance:     1571.179        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
 50: 
@@ -97472,18 +97528,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 2.4%.
-50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 1.3%.
+50:  Average load imbalance: 1.6%.
+50:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.4
+50:        Time:        0.002        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1542.848        0.016
+50: Performance:     1548.082        0.016
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (402 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (312 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
@@ -97528,18 +97584,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.5%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+50:  Average load imbalance: 1.8%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.9%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.002        0.001      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1811.140        0.013
+50: Performance:     1864.022        0.013
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -97583,18 +97639,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.3%.
-50:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+50:  Average load imbalance: 1.0%.
+50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1835.422        0.013
+50: Performance:     1891.203        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97640,18 +97696,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.4%.
-50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
+50:  Average load imbalance: 0.9%.
+50:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.4%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.5
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1879.376        0.013
+50: Performance:     1871.383        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97699,16 +97755,16 @@
 50:  DLB was off during the run due to low measured imbalance.
 50:  Average load imbalance: 1.5%.
 50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.8%.
+50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
-50: NOTE: 30 % of the run time was spent communicating energies,
+50: NOTE: 31 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.5
+50:        Time:        0.002        0.001      190.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1866.564        0.013
+50: Performance:     1861.488        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 50: 
@@ -97754,18 +97810,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 1.1%.
-50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.6%.
+50:  Average load imbalance: 1.0%.
+50:  The balanceable part of the MD step is 51%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.5%.
 50: 
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.4
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1842.283        0.013
+50: Performance:     1896.735        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
 50: 
@@ -97811,21 +97867,21 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 0.9%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.4%.
+50:  Average load imbalance: 1.4%.
+50:  The balanceable part of the MD step is 50%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 0.7%.
 50: 
 50: 
 50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1824.010        0.013
+50: Performance:     1864.586        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (226 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (320 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
@@ -97864,9 +97920,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.6
+50:        Time:        0.002        0.001      188.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1545.558        0.016
+50: Performance:     1639.764        0.015
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -97904,9 +97960,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.9
+50:        Time:        0.002        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1562.809        0.015
+50: Performance:     1683.222        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97946,9 +98002,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.0
+50:        Time:        0.002        0.001      188.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1568.379        0.015
+50: Performance:     1616.317        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -97990,7 +98046,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.002        0.001      188.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1594.563        0.015
+50: Performance:     1636.715        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 50: 
@@ -98032,7 +98088,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.002        0.001      188.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1577.617        0.015
+50: Performance:     1620.356        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
 50: 
@@ -98072,12 +98128,12 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.0
+50:        Time:        0.002        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1515.894        0.016
+50: Performance:     1650.306        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (268 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (202 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
@@ -98119,9 +98175,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.1
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     2025.845        0.012
+50: Performance:     2025.179        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -98158,13 +98214,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.4
+50:        Time:        0.001        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1948.938        0.012
+50: Performance:     1972.652        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98207,9 +98263,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.6
+50:        Time:        0.001        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1969.814        0.012
+50: Performance:     2017.882        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98248,13 +98304,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 31 % of the run time was spent communicating energies,
+50: NOTE: 32 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.8
+50:        Time:        0.001        0.001      189.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1969.814        0.012
+50: Performance:     1981.535        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 50: 
@@ -98293,13 +98349,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 32 % of the run time was spent communicating energies,
+50: NOTE: 33 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.7
+50:        Time:        0.002        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1989.213        0.012
+50: Performance:     1853.925        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
 50: 
@@ -98342,12 +98398,12 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      189.6
+50:        Time:        0.001        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1986.007        0.012
+50: Performance:     2063.850        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (276 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (313 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
@@ -98385,13 +98441,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.5
+50:        Time:        0.001        0.001      190.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1806.361        0.013
+50: Performance:     1926.691        0.012
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -98432,9 +98488,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.9
+50:        Time:        0.001        0.001      191.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1800.027        0.013
+50: Performance:     1903.474        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98477,9 +98533,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.7
+50:        Time:        0.002        0.001      191.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1815.410        0.013
+50: Performance:     1862.895        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98518,13 +98574,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 30 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.0
+50:        Time:        0.001        0.001      191.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1806.096        0.013
+50: Performance:     1897.903        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 50: 
@@ -98567,9 +98623,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.001        0.001      190.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1839.532        0.013
+50: Performance:     1899.073        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
 50: 
@@ -98612,12 +98668,12 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.3
+50:        Time:        0.001        0.001      191.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1852.253        0.013
+50: Performance:     1904.651        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (260 ms)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (296 ms)
 50: [ RUN      ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
@@ -98659,9 +98715,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.1
+50:        Time:        0.002        0.001      191.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1651.412        0.015
+50: Performance:     1674.985        0.014
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -98702,9 +98758,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.2
+50:        Time:        0.002        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1663.003        0.014
+50: Performance:     1720.356        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98743,13 +98799,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 28 % of the run time was spent communicating energies,
+50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.4
+50:        Time:        0.002        0.001      191.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1633.243        0.015
+50: Performance:     1690.381        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -98792,9 +98848,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.1
+50:        Time:        0.002        0.001      191.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1598.908        0.015
+50: Performance:     1699.005        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 50: 
@@ -98837,9 +98893,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.7
+50:        Time:        0.002        0.001      191.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1658.302        0.014
+50: Performance:     1694.566        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
 50: 
@@ -98878,17 +98934,17 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 25 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      191.0
+50:        Time:        0.002        0.001      192.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1669.538        0.014
+50: Performance:     1530.772        0.016
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file
-50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (252 ms)
-50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (8988 ms total)
+50: [       OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (276 ms)
+50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (19441 ms total)
 50: 
 50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0
@@ -98942,23 +98998,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 0.0%.
-50:  The balanceable part of the MD step is 35%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 0.0%.
-50: 
+50:  DLB got disabled because it was unsuitable to use.
+50:  Average load imbalance: 4.5%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 2.1%.
 50: 
-50: NOTE: 16 % of the run time was spent in domain decomposition,
-50:       0 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
 50: 
-50: NOTE: 13 % of the run time was spent communicating energies,
+50: NOTE: 29 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        1.216        0.624      194.9
+50:        Time:        0.001        0.001      190.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:        2.354       10.195
+50: Performance:     1875.942        0.013
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -99010,18 +99062,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 5.8%.
+50:  Average load imbalance: 6.4%.
 50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.7%.
+50:  Part of the total run time spent waiting due to load imbalance: 3.0%.
 50: 
 50: 
 50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.6
+50:        Time:        0.001        0.001      191.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1875.371        0.013
+50: Performance:     1902.592        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99075,18 +99127,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 5.0%.
-50:  The balanceable part of the MD step is 46%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+50:  Average load imbalance: 5.5%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 2.6%.
 50: 
 50: 
 50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.3
+50:        Time:        0.001        0.001      190.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1860.644        0.013
+50: Performance:     1912.337        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99140,18 +99192,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 4.9%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.3%.
+50:  Average load imbalance: 4.2%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 2.0%.
 50: 
 50: 
-50: NOTE: 29 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.5
+50:        Time:        0.001        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1854.204        0.013
+50: Performance:     1941.262        0.012
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
@@ -99205,18 +99257,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 8.3%.
-50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 4.0%.
+50:  Average load imbalance: 7.0%.
+50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 3.3%.
 50: 
 50: 
 50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.002        0.001      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1843.110        0.013
+50: Performance:     1850.306        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
 50: 
@@ -99270,21 +99322,21 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 6.0%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.8%.
+50:  Average load imbalance: 5.2%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 2.5%.
 50: 
 50: 
 50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.001        0.001      190.4
+50:        Time:        0.001        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1870.815        0.013
+50: Performance:     1918.292        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (3407 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (3470 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
@@ -99346,9 +99398,9 @@
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        0.001        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1822.661        0.013
+50: Performance:     1863.177        0.013
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -99399,19 +99451,25 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB was off during the run due to low measured imbalance.
-50:  Average load imbalance: 4.2%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.0%.
+50:  DLB got disabled because it was unsuitable to use.
+50:  Average load imbalance: 12.1%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 5.8%.
 50: 
+50: NOTE: 5.8 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You might want to use dynamic load balancing (option -dlb.)
+50:       You can also consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
 50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.5
+50:        Time:        0.002        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1818.357        0.013
+50: Performance:     1824.280        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99465,18 +99523,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 4.5%.
+50:  Average load imbalance: 4.9%.
 50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.1%.
+50:  Part of the total run time spent waiting due to load imbalance: 2.3%.
 50: 
 50: 
 50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.3
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1826.173        0.013
+50: Performance:     1892.365        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99529,19 +99587,19 @@
 50: 
 50: 
 50: Dynamic load balancing report:
-50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 8.7%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 4.1%.
+50:  DLB was off during the run due to low measured imbalance.
+50:  Average load imbalance: 3.9%.
+50:  The balanceable part of the MD step is 49%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 1.9%.
 50: 
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
+50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        0.001        0.001      189.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1759.667        0.014
+50: Performance:     1893.819        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
@@ -99595,18 +99653,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 4.3%.
+50:  Average load imbalance: 5.4%.
 50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.1%.
+50:  Part of the total run time spent waiting due to load imbalance: 2.6%.
 50: 
 50: 
 50: NOTE: 28 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.7
+50:        Time:        0.001        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1838.434        0.013
+50: Performance:     1870.247        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
 50: 
@@ -99660,21 +99718,21 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 4.7%.
-50:  The balanceable part of the MD step is 47%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.2%.
+50:  Average load imbalance: 4.9%.
+50:  The balanceable part of the MD step is 48%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 2.3%.
 50: 
 50: 
 50: NOTE: 27 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.9
+50:        Time:        0.002        0.001      189.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1825.902        0.013
+50: Performance:     1846.424        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (1688 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (2788 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
@@ -99720,10 +99778,13 @@
 50: 
 50: Writing final coordinates.
 50: 
+50: NOTE: 7 % of the run time was spent communicating energies,
+50:       you might want to increase some nst* mdp options
+50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.4
+50:        Time:        0.002        0.001      191.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1780.776        0.013
+50: Performance:     1680.467        0.014
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -99769,9 +99830,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.002        0.001      190.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1830.242        0.013
+50: Performance:     1826.443        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99818,10 +99879,13 @@
 50: 
 50: Writing final coordinates.
 50: 
+50: NOTE: 31 % of the run time was spent communicating energies,
+50:       you might want to increase some nst* mdp options
+50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.9
+50:        Time:        1.744        0.888      196.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1770.794        0.014
+50: Performance:        1.654       14.509
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -99869,9 +99933,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.5
+50:        Time:        0.002        0.001      190.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1780.776        0.013
+50: Performance:     1822.931        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
@@ -99921,7 +99985,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.002        0.001      190.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1824.820        0.013
+50: Performance:     1865.716        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
 50: 
@@ -99969,12 +100033,12 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.1
+50:        Time:        0.002        0.001      190.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1828.341        0.013
+50: Performance:     1802.661        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (2455 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (4044 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
@@ -100020,10 +100084,13 @@
 50: 
 50: Writing final coordinates.
 50: 
+50: NOTE: 31 % of the run time was spent communicating energies,
+50:       you might want to increase some nst* mdp options
+50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        1.744        0.888      196.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1772.578        0.014
+50: Performance:        1.654       14.508
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -100069,9 +100136,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.1
+50:        Time:        0.002        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1657.187        0.014
+50: Performance:     1848.640        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100119,9 +100186,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.8
+50:        Time:        0.002        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1747.934        0.014
+50: Performance:     1796.091        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100169,9 +100236,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.3
+50:        Time:        0.002        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1738.562        0.014
+50: Performance:     1782.579        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
@@ -100219,9 +100286,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.1
+50:        Time:        0.002        0.001      190.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1761.176        0.014
+50: Performance:     1757.659        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
 50: 
@@ -100269,12 +100336,12 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.4
+50:        Time:        0.002        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1796.353        0.013
+50: Performance:     1783.353        0.013
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (2706 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (3924 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
@@ -100320,17 +100387,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 12 % of the run time was spent in domain decomposition,
-50:       0 % of the run time was spent in pair search,
-50:       you might want to increase nstlist (this has no effect on accuracy)
-50: 
-50: NOTE: 24 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        1.055        0.527      200.0
+50:        Time:        0.002        0.001      191.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:        2.785        8.619
+50: Performance:     1722.279        0.014
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -100376,9 +100436,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.002        0.001      191.2
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1642.606        0.015
+50: Performance:     1710.801        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100426,9 +100486,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.6
+50:        Time:        0.002        0.001      191.6
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1669.764        0.014
+50: Performance:     1697.601        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100476,9 +100536,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.002        0.001      191.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1648.981        0.015
+50: Performance:     1745.211        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
@@ -100526,9 +100586,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.6
+50:        Time:        0.002        0.001      191.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1633.243        0.015
+50: Performance:     1657.187        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
 50: 
@@ -100576,12 +100636,12 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.8
+50:        Time:        0.002        0.001      191.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1639.982        0.015
+50: Performance:     1733.425        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (3431 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (3146 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
@@ -100628,9 +100688,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.002        0.001      191.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1651.855        0.015
+50: Performance:     1706.772        0.014
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -100676,9 +100736,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.3
+50:        Time:        0.002        0.001      191.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1623.559        0.015
+50: Performance:     1693.169        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100728,7 +100788,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.002        0.001      191.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1622.490        0.015
+50: Performance:     1731.233        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -100775,13 +100835,10 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 27 % of the run time was spent communicating energies,
-50:       you might want to increase some nst* mdp options
-50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        2.016        1.024      196.9
+50:        Time:        0.002        0.001      191.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:        1.434       16.732
+50: Performance:     1749.672        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
@@ -100829,9 +100886,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.5
+50:        Time:        0.002        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1629.356        0.015
+50: Performance:     1662.105        0.014
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
 50: 
@@ -100879,12 +100936,12 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.0
+50:        Time:        0.002        0.001      190.7
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1655.406        0.014
+50: Performance:     1643.263        0.015
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (3872 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (2820 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
@@ -100937,15 +100994,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 4.7%.
-50:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.6%.
+50:  Average load imbalance: 8.5%.
+50:  The balanceable part of the MD step is 55%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 4.7%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.2
+50:        Time:        0.002        0.001      190.8
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1344.521        0.018
+50: Performance:     1274.562        0.019
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -100997,15 +101054,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 4.2%.
+50:  Average load imbalance: 4.0%.
 50:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.4%.
+50:  Part of the total run time spent waiting due to load imbalance: 2.3%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.0
+50:        Time:        0.002        0.001      190.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1366.743        0.018
+50: Performance:     1402.526        0.017
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -101059,15 +101116,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 5.0%.
+50:  Average load imbalance: 4.0%.
 50:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.9%.
+50:  Part of the total run time spent waiting due to load imbalance: 2.3%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.0
+50:        Time:        0.002        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1463.150        0.016
+50: Performance:     1391.753        0.017
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -101121,15 +101178,15 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 5.0%.
+50:  Average load imbalance: 4.8%.
 50:  The balanceable part of the MD step is 57%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.8%.
+50:  Part of the total run time spent waiting due to load imbalance: 2.7%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.9
+50:        Time:        0.002        0.001      190.0
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1339.260        0.018
+50: Performance:     1341.009        0.018
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
@@ -101183,15 +101240,21 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 4.4%.
+50:  Average load imbalance: 9.0%.
 50:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 2.5%.
+50:  Part of the total run time spent waiting due to load imbalance: 5.0%.
 50: 
+50: NOTE: 5.0 % of the available CPU time was lost due to load imbalance
+50:       in the domain decomposition.
+50:       You might want to use dynamic load balancing (option -dlb.)
+50:       You can also consider manually changing the decomposition (option -dd);
+50:       e.g. by using fewer domains along the box dimension in which there is
+50:       considerable inhomogeneity in the simulated system.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.5
+50:        Time:        0.002        0.001      189.9
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1343.348        0.018
+50: Performance:     1401.250        0.017
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
 50: 
@@ -101245,18 +101308,18 @@
 50: 
 50: Dynamic load balancing report:
 50:  DLB got disabled because it was unsuitable to use.
-50:  Average load imbalance: 7.5%.
-50:  The balanceable part of the MD step is 56%, load imbalance is computed from this.
-50:  Part of the total run time spent waiting due to load imbalance: 4.2%.
+50:  Average load imbalance: 8.1%.
+50:  The balanceable part of the MD step is 58%, load imbalance is computed from this.
+50:  Part of the total run time spent waiting due to load imbalance: 4.7%.
 50: 
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      190.0
+50:        Time:        0.002        0.001      189.4
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1346.725        0.018
+50: Performance:     1401.568        0.017
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (2284 ms)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (3456 ms)
 50: [ RUN      ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
@@ -101303,9 +101366,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.2
+50:        Time:        0.002        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1288.692        0.019
+50: Performance:     1301.763        0.018
 50: 
 50: NOTE 1 [file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]:
 50:   With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
@@ -101350,13 +101413,13 @@
 50: 
 50: Writing final coordinates.
 50: 
-50: NOTE: 34 % of the run time was spent communicating energies,
+50: NOTE: 5 % of the run time was spent communicating energies,
 50:       you might want to increase some nst* mdp options
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        2.877        1.439      200.0
+50:        Time:        0.002        0.001      189.3
 50:                  (ns/day)    (hour/ns)
-50: Performance:        1.021       23.507
+50: Performance:     1330.726        0.018
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -101406,7 +101469,7 @@
 50:                Core t (s)   Wall t (s)        (%)
 50:        Time:        0.002        0.001      189.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1251.644        0.019
+50: Performance:     1315.382        0.018
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
Reading energy frame      0 time    0.000         
Reading energy frame      0 time    0.000         
Reading energy frame      1 time    0.004         
Reading energy frame      1 time    0.004         
Reading energy frame      2 time    0.008         
Reading energy frame      2 time    0.008         
Reading energy frame      3 time    0.012         
Reading energy frame      3 time    0.012         
Reading energy frame      4 time    0.016         
Reading energy frame      4 time    0.016         
Last energy frame read 4 time    0.016         
@@ -101454,9 +101517,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      188.6
+50:        Time:        0.002        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1258.677        0.019
+50: Performance:     1252.662        0.019
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
@@ -101504,9 +101567,9 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.6
+50:        Time:        0.002        0.001      188.5
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1291.664        0.019
+50: Performance:     1329.864        0.018
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
 50: 
@@ -101554,18 +101617,18 @@
 50: Writing final coordinates.
 50: 
 50:                Core t (s)   Wall t (s)        (%)
-50:        Time:        0.002        0.001      189.2
+50:        Time:        0.002        0.001      189.1
 50:                  (ns/day)    (hour/ns)
-50: Performance:     1264.230        0.019
+50: Performance:     1302.727        0.018
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file
 50: Opened /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file
-50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (3901 ms)
-50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (23744 ms total)
+50: [       OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (3390 ms)
+50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (27038 ms total)
 50: 
 50: [----------] Global test environment tear-down
-50: [==========] 27 tests from 3 test cases ran. (32996 ms total)
+50: [==========] 27 tests from 3 test cases ran. (47152 ms total)
 50: [  PASSED  ] 27 tests.
-50/54 Test #50: MdrunMpiCoordinationTestsTwoRanks ...   Passed   33.01 sec
+50/54 Test #50: MdrunMpiCoordinationTestsTwoRanks ...   Passed   47.17 sec
 test 51
       Start 51: GmxapiExternalInterfaceTests
 
@@ -101575,7 +101638,7 @@
 51: [----------] Global test environment set-up.
 51: [----------] 8 tests from GmxApiTest
 51: [ RUN      ] GmxApiTest.ApiRunnerRestrainedMD
-51: Setting the LD random seed to 2059397045
+51: Setting the LD random seed to 125624062
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -101616,13 +101679,16 @@
 51: 
 51: Writing final coordinates.
 51: 
+51: NOTE: 32 % of the run time was spent in pair search,
+51:       you might want to increase nstlist (this has no effect on accuracy)
+51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.024        0.012      199.1
+51:        Time:        0.200        0.100      199.9
 51:                  (ns/day)    (hour/ns)
-51: Performance:       41.279        0.581
-51: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (499 ms)
+51: Performance:        5.060        4.744
+51: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (676 ms)
 51: [ RUN      ] GmxApiTest.SystemConstruction
-51: Setting the LD random seed to 2136955821
+51: Setting the LD random seed to -1627916971
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -101649,13 +101715,13 @@
 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 51: Note that mdrun will redetermine rlist based on the actual pair-list setup
 51: This run will generate roughly 0 Mb of data
-51: [       OK ] GmxApiTest.SystemConstruction (488 ms)
+51: [       OK ] GmxApiTest.SystemConstruction (374 ms)
 51: [ RUN      ] GmxApiTest.SaneVersionComparisons
 51: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 51: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 51: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
 51: [ RUN      ] GmxApiTest.RunnerBasicMD
-51: Setting the LD random seed to -1611154186
+51: Setting the LD random seed to 670788479
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -101696,16 +101762,13 @@
 51: 
 51: Writing final coordinates.
 51: 
-51: NOTE: 59 % of the run time was spent in pair search,
-51:       you might want to increase nstlist (this has no effect on accuracy)
-51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.108        0.054      199.8
+51:        Time:        0.051        0.025      199.7
 51:                  (ns/day)    (hour/ns)
-51: Performance:        9.332        2.572
-51: [       OK ] GmxApiTest.RunnerBasicMD (530 ms)
+51: Performance:       19.859        1.209
+51: [       OK ] GmxApiTest.RunnerBasicMD (275 ms)
 51: [ RUN      ] GmxApiTest.RunnerReinitialize
-51: Setting the LD random seed to 1073577536
+51: Setting the LD random seed to 2052554025
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -101751,9 +101814,9 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.171        0.086      199.9
+51:        Time:        0.260        0.130      199.9
 51:                  (ns/day)    (hour/ns)
-51: Performance:       41.302        0.581
+51: Performance:       27.211        0.882
 51: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309
 51: 
@@ -101769,12 +101832,12 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.190        0.095      199.9
+51:        Time:        0.171        0.085      199.9
 51:                  (ns/day)    (hour/ns)
-51: Performance:       37.256        0.644
-51: [       OK ] GmxApiTest.RunnerReinitialize (439 ms)
+51: Performance:       41.497        0.578
+51: [       OK ] GmxApiTest.RunnerReinitialize (755 ms)
 51: [ RUN      ] GmxApiTest.RunnerContinuedMD
-51: Setting the LD random seed to -536904041
+51: Setting the LD random seed to 1608220533
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -101816,9 +101879,9 @@
 51: Writing final coordinates.
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.064        0.032      199.6
+51:        Time:        0.093        0.046      199.8
 51:                  (ns/day)    (hour/ns)
-51: Performance:       58.101        0.413
+51: Performance:       39.982        0.600
 51: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 51: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps
 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309
@@ -101835,16 +101898,13 @@
 51: 
 51: Writing final coordinates.
 51: 
-51: NOTE: 33 % of the run time was spent in pair search,
-51:       you might want to increase nstlist (this has no effect on accuracy)
-51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.192        0.096      199.9
+51:        Time:        0.169        0.085      199.9
 51:                  (ns/day)    (hour/ns)
-51: Performance:       36.888        0.651
-51: [       OK ] GmxApiTest.RunnerContinuedMD (583 ms)
+51: Performance:       41.821        0.574
+51: [       OK ] GmxApiTest.RunnerContinuedMD (376 ms)
 51: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
-51: Setting the LD random seed to -16933389
+51: Setting the LD random seed to -1217937413
 51: Generated 331705 of the 331705 non-bonded parameter combinations
 51: Generating 1-4 interactions: fudge = 0.5
 51: Generated 331705 of the 331705 1-4 parameter combinations
@@ -101885,13 +101945,13 @@
 51: 
 51: Writing final coordinates.
 51: 
-51: NOTE: 26 % of the run time was spent in pair search,
+51: NOTE: 18 % of the run time was spent in pair search,
 51:       you might want to increase nstlist (this has no effect on accuracy)
 51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.184        0.092      199.9
+51:        Time:        0.027        0.014      199.3
 51:                  (ns/day)    (hour/ns)
-51: Performance:        3.665        6.548
+51: Performance:       24.932        0.963
 51: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 51: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps
 51: Changing nstlist from 10 to 1, rlist from 1.041 to 1
@@ -101906,12 +101966,15 @@
 51: starting mdrun 'Water and methane'
 51: 2 steps,      0.0 ps.
 51: 
+51: NOTE: 19 % of the run time was spent in pair search,
+51:       you might want to increase nstlist (this has no effect on accuracy)
+51: 
 51:                Core t (s)   Wall t (s)        (%)
-51:        Time:        0.040        0.020      199.3
+51:        Time:        0.027        0.013      199.4
 51:                  (ns/day)    (hour/ns)
-51: Performance:       16.913        1.419
-51: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (688 ms)
-51: [----------] 8 tests from GmxApiTest (3227 ms total)
+51: Performance:       25.337        0.947
+51: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (279 ms)
+51: [----------] 8 tests from GmxApiTest (2736 ms total)
 51: 
 51: [----------] 1 test from GmxApiBasicTest
 51: [ RUN      ] GmxApiBasicTest.Status
@@ -101919,9 +101982,9 @@
 51: [----------] 1 test from GmxApiBasicTest (0 ms total)
 51: 
 51: [----------] Global test environment tear-down
-51: [==========] 9 tests from 2 test cases ran. (3227 ms total)
+51: [==========] 9 tests from 2 test cases ran. (2736 ms total)
 51: [  PASSED  ] 9 tests.
-51/54 Test #51: GmxapiExternalInterfaceTests ........   Passed    3.26 sec
+51/54 Test #51: GmxapiExternalInterfaceTests ........   Passed    2.77 sec
 test 52
       Start 52: GmxapiMpiTests
 
@@ -101931,7 +101994,7 @@
 52: [----------] Global test environment set-up.
 52: [----------] 8 tests from GmxApiTest
 52: [ RUN      ] GmxApiTest.ApiRunnerRestrainedMD
-52: Setting the LD random seed to 1996488151
+52: Setting the LD random seed to -482502161
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -101972,13 +102035,16 @@
 52: 
 52: Writing final coordinates.
 52: 
+52: NOTE: 10 % of the run time was spent in pair search,
+52:       you might want to increase nstlist (this has no effect on accuracy)
+52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.032        0.016      199.3
+52:        Time:        0.624        0.312      200.0
 52:                  (ns/day)    (hour/ns)
-52: Performance:       31.476        0.762
-52: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (612 ms)
+52: Performance:        1.622       14.795
+52: [       OK ] GmxApiTest.ApiRunnerRestrainedMD (706 ms)
 52: [ RUN      ] GmxApiTest.SystemConstruction
-52: Setting the LD random seed to -814359073
+52: Setting the LD random seed to -1081605
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102005,13 +102071,13 @@
 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 52: Note that mdrun will redetermine rlist based on the actual pair-list setup
 52: This run will generate roughly 0 Mb of data
-52: [       OK ] GmxApiTest.SystemConstruction (296 ms)
+52: [       OK ] GmxApiTest.SystemConstruction (517 ms)
 52: [ RUN      ] GmxApiTest.SaneVersionComparisons
 52: [       OK ] GmxApiTest.SaneVersionComparisons (0 ms)
 52: [ RUN      ] GmxApiTest.VersionNamed0_1_Features
 52: [       OK ] GmxApiTest.VersionNamed0_1_Features (0 ms)
 52: [ RUN      ] GmxApiTest.RunnerBasicMD
-52: Setting the LD random seed to -341197345
+52: Setting the LD random seed to 1744306156
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102052,16 +102118,16 @@
 52: 
 52: Writing final coordinates.
 52: 
-52: NOTE: 10 % of the run time was spent in pair search,
+52: NOTE: 20 % of the run time was spent in pair search,
 52:       you might want to increase nstlist (this has no effect on accuracy)
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.032        0.016      199.5
+52:        Time:        0.328        0.164      199.9
 52:                  (ns/day)    (hour/ns)
-52: Performance:       31.457        0.763
-52: [       OK ] GmxApiTest.RunnerBasicMD (264 ms)
+52: Performance:        3.086        7.778
+52: [       OK ] GmxApiTest.RunnerBasicMD (754 ms)
 52: [ RUN      ] GmxApiTest.RunnerReinitialize
-52: Setting the LD random seed to -67239937
+52: Setting the LD random seed to 1795155939
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102106,10 +102172,13 @@
 52: 
 52: Writing final coordinates.
 52: 
+52: NOTE: 40 % of the run time was spent in pair search,
+52:       you might want to increase nstlist (this has no effect on accuracy)
+52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.170        0.085      199.9
+52:        Time:        0.160        0.080      199.8
 52:                  (ns/day)    (hour/ns)
-52: Performance:       41.627        0.577
+52: Performance:       44.255        0.542
 52: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309
 52: 
@@ -102125,12 +102194,12 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.169        0.085      199.9
+52:        Time:        0.968        0.484      200.0
 52:                  (ns/day)    (hour/ns)
-52: Performance:       41.811        0.574
-52: [       OK ] GmxApiTest.RunnerReinitialize (417 ms)
+52: Performance:        7.318        3.280
+52: [       OK ] GmxApiTest.RunnerReinitialize (1208 ms)
 52: [ RUN      ] GmxApiTest.RunnerContinuedMD
-52: Setting the LD random seed to -513868353
+52: Setting the LD random seed to -1628475394
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102172,9 +102241,9 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.093        0.046      199.7
+52:        Time:        0.149        0.075      199.9
 52:                  (ns/day)    (hour/ns)
-52: Performance:       40.064        0.599
+52: Performance:       24.908        0.964
 52: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 52: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps
 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309
@@ -102192,12 +102261,12 @@
 52: Writing final coordinates.
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.169        0.085      199.9
+52:        Time:        0.697        0.349      200.0
 52:                  (ns/day)    (hour/ns)
-52: Performance:       41.912        0.573
-52: [       OK ] GmxApiTest.RunnerContinuedMD (381 ms)
+52: Performance:       10.165        2.361
+52: [       OK ] GmxApiTest.RunnerContinuedMD (1003 ms)
 52: [ RUN      ] GmxApiTest.ApiRunnerStopSignalClient
-52: Setting the LD random seed to -1141378116
+52: Setting the LD random seed to -1080033357
 52: Generated 331705 of the 331705 non-bonded parameter combinations
 52: Generating 1-4 interactions: fudge = 0.5
 52: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102242,9 +102311,9 @@
 52:       you might want to increase nstlist (this has no effect on accuracy)
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.027        0.013      199.3
+52:        Time:        0.496        0.248      199.9
 52:                  (ns/day)    (hour/ns)
-52: Performance:       25.294        0.949
+52: Performance:        1.361       17.640
 52: Reading file /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision)
 52: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps
 52: Changing nstlist from 10 to 1, rlist from 1.041 to 1
@@ -102263,11 +102332,11 @@
 52:       you might want to increase nstlist (this has no effect on accuracy)
 52: 
 52:                Core t (s)   Wall t (s)        (%)
-52:        Time:        0.026        0.013      199.4
+52:        Time:        0.496        0.248      199.9
 52:                  (ns/day)    (hour/ns)
-52: Performance:       25.563        0.939
-52: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (274 ms)
-52: [----------] 8 tests from GmxApiTest (2244 ms total)
+52: Performance:        1.361       17.640
+52: [       OK ] GmxApiTest.ApiRunnerStopSignalClient (1155 ms)
+52: [----------] 8 tests from GmxApiTest (5346 ms total)
 52: 
 52: [----------] 1 test from GmxApiBasicTest
 52: [ RUN      ] GmxApiBasicTest.Status
@@ -102275,9 +102344,9 @@
 52: [----------] 1 test from GmxApiBasicTest (0 ms total)
 52: 
 52: [----------] Global test environment tear-down
-52: [==========] 9 tests from 2 test cases ran. (2244 ms total)
+52: [==========] 9 tests from 2 test cases ran. (5346 ms total)
 52: [  PASSED  ] 9 tests.
-52/54 Test #52: GmxapiMpiTests ......................   Passed    2.28 sec
+52/54 Test #52: GmxapiMpiTests ......................   Passed    5.37 sec
 test 53
       Start 53: GmxapiInternalInterfaceTests
 
@@ -102287,7 +102356,7 @@
 53: [----------] Global test environment set-up.
 53: [----------] 2 tests from GmxApiTest
 53: [ RUN      ] GmxApiTest.BuildApiWorkflowImpl
-53: Setting the LD random seed to -37896225
+53: Setting the LD random seed to 2137357550
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: Generating 1-4 interactions: fudge = 0.5
 53: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102314,9 +102383,9 @@
 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GmxApiTest.BuildApiWorkflowImpl (259 ms)
+53: [       OK ] GmxApiTest.BuildApiWorkflowImpl (576 ms)
 53: [ RUN      ] GmxApiTest.CreateApiWorkflow
-53: Setting the LD random seed to -80019507
+53: Setting the LD random seed to 1181186011
 53: Generated 331705 of the 331705 non-bonded parameter combinations
 53: Generating 1-4 interactions: fudge = 0.5
 53: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102343,13 +102412,13 @@
 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 53: Note that mdrun will redetermine rlist based on the actual pair-list setup
 53: This run will generate roughly 0 Mb of data
-53: [       OK ] GmxApiTest.CreateApiWorkflow (244 ms)
-53: [----------] 2 tests from GmxApiTest (503 ms total)
+53: [       OK ] GmxApiTest.CreateApiWorkflow (534 ms)
+53: [----------] 2 tests from GmxApiTest (1110 ms total)
 53: 
 53: [----------] Global test environment tear-down
-53: [==========] 2 tests from 1 test case ran. (503 ms total)
+53: [==========] 2 tests from 1 test case ran. (1110 ms total)
 53: [  PASSED  ] 2 tests.
-53/54 Test #53: GmxapiInternalInterfaceTests ........   Passed    0.52 sec
+53/54 Test #53: GmxapiInternalInterfaceTests ........   Passed    1.15 sec
 test 54
       Start 54: GmxapiInternalsMpiTests
 
@@ -102359,7 +102428,7 @@
 54: [----------] Global test environment set-up.
 54: [----------] 2 tests from GmxApiTest
 54: [ RUN      ] GmxApiTest.BuildApiWorkflowImpl
-54: Setting the LD random seed to -553697417
+54: Setting the LD random seed to 267369693
 54: Generated 331705 of the 331705 non-bonded parameter combinations
 54: Generating 1-4 interactions: fudge = 0.5
 54: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102386,9 +102455,9 @@
 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 54: Note that mdrun will redetermine rlist based on the actual pair-list setup
 54: This run will generate roughly 0 Mb of data
-54: [       OK ] GmxApiTest.BuildApiWorkflowImpl (255 ms)
+54: [       OK ] GmxApiTest.BuildApiWorkflowImpl (550 ms)
 54: [ RUN      ] GmxApiTest.CreateApiWorkflow
-54: Setting the LD random seed to 761264025
+54: Setting the LD random seed to -404483
 54: Generated 331705 of the 331705 non-bonded parameter combinations
 54: Generating 1-4 interactions: fudge = 0.5
 54: Generated 331705 of the 331705 1-4 parameter combinations
@@ -102415,24 +102484,24 @@
 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm
 54: Note that mdrun will redetermine rlist based on the actual pair-list setup
 54: This run will generate roughly 0 Mb of data
-54: [       OK ] GmxApiTest.CreateApiWorkflow (247 ms)
-54: [----------] 2 tests from GmxApiTest (502 ms total)
+54: [       OK ] GmxApiTest.CreateApiWorkflow (541 ms)
+54: [----------] 2 tests from GmxApiTest (1091 ms total)
 54: 
 54: [----------] Global test environment tear-down
-54: [==========] 2 tests from 1 test case ran. (502 ms total)
+54: [==========] 2 tests from 1 test case ran. (1092 ms total)
 54: [  PASSED  ] 2 tests.
-54/54 Test #54: GmxapiInternalsMpiTests .............   Passed    0.51 sec
+54/54 Test #54: GmxapiInternalsMpiTests .............   Passed    1.14 sec
 
 100% tests passed, 0 tests failed out of 54
 
 Label Time Summary:
-GTest              =  69.30 sec*proc (54 tests)
-IntegrationTest    =  17.17 sec*proc (12 tests)
-MpiTest            =  49.29 sec*proc (8 tests)
-SlowTest           =  45.07 sec*proc (2 tests)
-UnitTest           =   7.07 sec*proc (40 tests)
+GTest              = 143.07 sec*proc (54 tests)
+IntegrationTest    =  72.36 sec*proc (12 tests)
+MpiTest            =  81.08 sec*proc (8 tests)
+SlowTest           =  59.96 sec*proc (2 tests)
+UnitTest           =  10.75 sec*proc (40 tests)
 
-Total Test time (real) =  69.36 sec
+Total Test time (real) = 143.12 sec
 touch build-basic
 dh_testdir
 /usr/bin/make -j12 -C build/mpich
@@ -102443,60 +102512,60 @@
 make[2]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
+/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
+Scanning dependencies of target scanner
+Scanning dependencies of target release-version-info
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
-Scanning dependencies of target release-version-info
-Scanning dependencies of target scanner
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
-Scanning dependencies of target lmfit_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
 /usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
+Scanning dependencies of target lmfit_objlib
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
-Scanning dependencies of target thread_mpi
 /usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+Scanning dependencies of target thread_mpi
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
 /usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 Scanning dependencies of target tng_io_obj
-Scanning dependencies of target linearalgebra
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp
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-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
+Scanning dependencies of target linearalgebra
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
 [  0%] Built target release-version-info
 /usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
@@ -102505,36 +102574,25 @@
 Scanning dependencies of target mdrun_objlib
 Scanning dependencies of target modularsimulator
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[  1%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[  1%] Built target lmfit_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+[  1%] Built target thread_mpi
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/rle.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c
@@ -102545,15 +102603,26 @@
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
+[  1%] Built target lmfit_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[  2%] Built target mdrun_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+[  2%] Built target mdrun_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp
@@ -103030,11 +103099,11 @@
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp
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 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function 'void __static_initialization_and_destruction_0(int, int)':
 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of 'char* getenv(const char*)' declared with attribute 'warn_unused_result' [-Wunused-result]
   104 |         (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA);
       |          ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich-dp /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
-Scanning dependencies of target tng_io_obj
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+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
+[  0%] Built target release-version-info
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich-dp /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
 Scanning dependencies of target modularsimulator
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
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-[  0%] Built target release-version-info
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
-[  1%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
-[  1%] Built target lmfit_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c
+[  1%] Built target thread_mpi
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/mpich-dp /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/rle.c
+Scanning dependencies of target mdrun_objlib
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
+[  1%] Built target lmfit_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
-[  2%] Built target mdrun_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp
@@ -103305,6 +103372,8 @@
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
+[  2%] Built target mdrun_objlib
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
 [  2%] Built target linearalgebra
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
 [  2%] Built target scanner
@@ -103714,11 +103783,11 @@
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/membed.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp
 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp: In function 'void __static_initialization_and_destruction_0(int, int)':
 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp:103:16: warning: ignoring return value of 'char* getenv(const char*)' declared with attribute 'warn_unused_result' [-Wunused-result]
   103 |         (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA);
       |          ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp
@@ -103774,12 +103843,12 @@
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp
 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function 'void __static_initialization_and_destruction_0(int, int)':
 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of 'char* getenv(const char*)' declared with attribute 'warn_unused_result' [-Wunused-result]
   104 |         (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA);
       |          ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/mpich-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp
@@ -103938,76 +104007,76 @@
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest /build/reproducible-path/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/mpich/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
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-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
+[  0%] Built target scanner
+[  0%] Built target release-version-info
+[  1%] Built target thread_mpi
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
+[  1%] Built target lmfit_objlib
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest /build/reproducible-path/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
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+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
 Scanning dependencies of target gtest
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+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+[  3%] Built target tng_io_obj
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -I/build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=c++14 -o CMakeFiles/gtest.dir/src/gtest-all.cc.o -c /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/src/gtest-all.cc
-[  0%] Built target lmfit_objlib
-[  0%] Built target scanner
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[  2%] Built target linearalgebra
-[  3%] Built target thread_mpi
-[  3%] Built target tng_io_obj
+[  3%] Built target linearalgebra
 [  5%] Built target modularsimulator
-[  5%] Built target release-version-info
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color=
@@ -104073,154 +104142,179 @@
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-/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend
-/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend
-/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend
+Scanning dependencies of target selection-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build
+Scanning dependencies of target testutils-mpi-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color=
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color=
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-/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color=
-Scanning dependencies of target utility-mpi-test
-Scanning dependencies of target testutils-mpi-test
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/mpitest.cpp
-Scanning dependencies of target onlinehelp-test-shared
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+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp
+Scanning dependencies of target utility-mpi-test
 Scanning dependencies of target testutils-test
-Scanning dependencies of target domdec-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/mpitest.cpp
 /usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/interactivetest.cpp
-/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build
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-Scanning dependencies of target selection-test
-Scanning dependencies of target fft-test
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp
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-Scanning dependencies of target gpu_utils-test
-Scanning dependencies of target ewald-test
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-Scanning dependencies of target applied_forces-test
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp
-/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
+/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target utility-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build
-/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp
 Scanning dependencies of target mdlib-test
-Scanning dependencies of target utility-test
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp
+Scanning dependencies of target applied_forces-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 [ 77%] Built target testutils-mpi-test
-/usr/bin/make  -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend
+/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color=
-Scanning dependencies of target hardware-test
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color=
+Scanning dependencies of target onlinehelp-test-shared
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-/usr/bin/make  -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build
+/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+[ 77%] Built target utility-mpi-test
+/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target domdec-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o
 /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 77%] Built target utility-mpi-test
-/usr/bin/make  -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend
 [ 77%] Built target onlinehelp-test-shared
+/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target ewald-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp
+/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target fft-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp
+/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target gpu_utils-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp
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+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend
+[ 77%] Built target testutils-test
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend
+Scanning dependencies of target hardware-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+/usr/bin/make  -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp
 Scanning dependencies of target math-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+[ 77%] Built target domdec-test
+/usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color=
 Scanning dependencies of target mdrunutility-test-shared
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 77%] Built target fft-test
+[ 77%] Built target applied_forces-test
 /usr/bin/make  -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake --color=
@@ -104229,12 +104323,12 @@
 /usr/bin/make  -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/accessor_policy.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 77%] Built target domdec-test
+[ 77%] Built target fft-test
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color=
@@ -104243,54 +104337,62 @@
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpformat.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1
-/usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp
-/usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 78%] Built target mdrunutility-test-shared
+[ 77%] Built target hardware-test
 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp
 Scanning dependencies of target options-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o
+/usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp
+[ 78%] Built target mdrunutility-test-shared
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 78%] Built target hardware-test
+[ 79%] Built target selection-test
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp
 Scanning dependencies of target pbcutil-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp
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 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/functions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp
-[ 78%] Built target pbcutil-test
+[ 79%] Built target pbcutil-test
 /usr/bin/make  -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color=
@@ -104299,32 +104401,30 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 79%] Built target onlinehelp-test
+[ 80%] Built target onlinehelp-test
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp
 Scanning dependencies of target restraintpotential-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/option.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 79%] Built target testutils-test
+[ 80%] Built target restraintpotential-test
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color=
@@ -104333,9 +104433,8 @@
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 79%] Built target applied_forces-test
+[ 80%] Built target gpu_utils-test
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color=
@@ -104344,50 +104443,55 @@
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 79%] Built target restraintpotential-test
+[ 81%] Built target ewald-test
 /usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/CMakeFiles/topology-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 Scanning dependencies of target topology-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/seed.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 79%] Built target gpu_utils-test
+[ 82%] Built target taskassignment-test
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 Scanning dependencies of target pull-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 80%] Built target taskassignment-test
+[ 82%] Built target mdspan-test
 /usr/bin/make  -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color=
@@ -104396,9 +104500,14 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 81%] Built target pull-test
+[ 83%] Built target pull-test
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color=
@@ -104407,21 +104516,11 @@
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/functions.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformrealdistribution.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 82%] Built target topology-test
+[ 84%] Built target options-test
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color=
@@ -104430,12 +104529,7 @@
 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 82%] Built target mdspan-test
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color=
@@ -104444,29 +104538,27 @@
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/base.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 82%] Built target table-test
+[ 84%] Built target table-test
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
 Scanning dependencies of target commandline-test
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/ewald-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 83%] Built target ewald-test
+[ 85%] Built target topology-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake --color=
@@ -104475,23 +104567,14 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 84%] Built target awh-test
+[ 86%] Built target random-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color=
@@ -104500,115 +104583,101 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymap.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 84%] Built target mdrunutility-mpi-test
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 85%] Built target random-test
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp
+[ 86%] Built target mdrunutility-mpi-test
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1
+[ 86%] Built target mdrunutility-test
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 85%] Built target mdrunutility-test
+[ 87%] Built target awh-test
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroupscog.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 86%] Built target selection-test
+[ 89%] Built target math-test
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/treesupport.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/enumerationhelpers.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 87%] Built target fileio-test
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+[ 90%] Built target fileio-test
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4_floatingpoint.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 89%] Built target mdlib-test
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 90%] Built target compat-test
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4_floatingpoint.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4_vector_operations.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4_math.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/path.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp
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-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 91%] Built target options-test
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 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 92%] Built target commandline-test
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/mpich/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 94%] Built target math-test
+[ 92%] Built target mdlib-test
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+[ 94%] Built target simd-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+[ 95%] Built target compat-test
+cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-[ 96%] Built target simd-test
+[ 96%] Built target commandline-test
 cd /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.mpich -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so /usr/lib/aarch64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
@@ -104651,7 +104720,7 @@
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSimpleSession
 1: [       OK ] InteractiveTestHelperTest.ChecksSimpleSession (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline
-1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (1 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput
 1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput
@@ -104663,12 +104732,12 @@
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingFinalOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraOutput
-1: [       OK ] InteractiveTestHelperTest.DetectsExtraOutput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.DetectsExtraOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingInput
 1: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraInput
 1: [       OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms)
-1: [----------] 10 tests from InteractiveTestHelperTest (3 ms total)
+1: [----------] 10 tests from InteractiveTestHelperTest (1 ms total)
 1: 
 1: [----------] 34 tests from ReferenceDataTest
 1: [ RUN      ] ReferenceDataTest.HandlesSimpleData
@@ -104676,17 +104745,17 @@
 1: [ RUN      ] ReferenceDataTest.HandlesFloatingPointData
 1: [       OK ] ReferenceDataTest.HandlesFloatingPointData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesPresenceChecks
-1: [       OK ] ReferenceDataTest.HandlesPresenceChecks (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesPresenceChecks (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesStringBlockData
 1: [       OK ] ReferenceDataTest.HandlesStringBlockData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesVectorData
-1: [       OK ] ReferenceDataTest.HandlesVectorData (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesVectorData (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceData
 1: [       OK ] ReferenceDataTest.HandlesSequenceData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceOfCustomData
 1: [       OK ] ReferenceDataTest.HandlesSequenceOfCustomData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesIncorrectData
-1: [       OK ] ReferenceDataTest.HandlesIncorrectData (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesIncorrectData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesIncorrectDataType
 1: [       OK ] ReferenceDataTest.HandlesIncorrectDataType (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMissingData
@@ -104698,7 +104767,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesUncheckedDataInCompound
 1: [       OK ] ReferenceDataTest.HandlesUncheckedDataInCompound (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesAnys
-1: [       OK ] ReferenceDataTest.HandlesAnys (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesAnys (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTree
 1: [       OK ] ReferenceDataTest.HandlesKeyValueTree (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTreeExtraKey
@@ -104710,13 +104779,13 @@
 1: [ RUN      ] ReferenceDataTest.HandlesAnysWithIncorrectType
 1: [       OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMissingReferenceDataFile
-1: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSpecialCharactersInStrings
 1: [       OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace
 1: [       OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesEmptyStrings
-1: [       OK ] ReferenceDataTest.HandlesEmptyStrings (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesEmptyStrings (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock
 1: [       OK ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceItemIndices
@@ -104726,7 +104795,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesMultipleNullIds
 1: [       OK ] ReferenceDataTest.HandlesMultipleNullIds (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds
-1: [       OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesReadingValues
 1: [       OK ] ReferenceDataTest.HandlesReadingValues (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges
@@ -104734,12 +104803,12 @@
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges
-1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges
-1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms)
-1: [----------] 34 tests from ReferenceDataTest (7 ms total)
+1: [----------] 34 tests from ReferenceDataTest (3 ms total)
 1: 
 1: [----------] 7 tests from FloatingPointDifferenceTest
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesEqualValues
@@ -104777,13 +104846,13 @@
 1: [ RUN      ] XvgTests.CheckExtra
 1: [       OK ] XvgTests.CheckExtra (0 ms)
 1: [ RUN      ] XvgTests.ReadIncorrect
-1: [       OK ] XvgTests.ReadIncorrect (1 ms)
-1: [----------] 4 tests from XvgTests (2 ms total)
+1: [       OK ] XvgTests.ReadIncorrect (0 ms)
+1: [----------] 4 tests from XvgTests (0 ms total)
 1: 
 1: [----------] Global test environment tear-down
-1: [==========] 59 tests from 5 test cases ran. (13 ms total)
+1: [==========] 59 tests from 5 test cases ran. (4 ms total)
 1: [  PASSED  ] 59 tests.
- 1/30 Test  #1: TestUtilsUnitTests ...............   Passed    0.04 sec
+ 1/30 Test  #1: TestUtilsUnitTests ...............   Passed    0.02 sec
 test 2
       Start  2: TestUtilsMpiUnitTests
 
@@ -104793,13 +104862,13 @@
 2: [----------] Global test environment set-up.
 2: [----------] 1 test from MpiSelfTest
 2: [ RUN      ] MpiSelfTest.Runs
-2: [       OK ] MpiSelfTest.Runs (0 ms)
-2: [----------] 1 test from MpiSelfTest (0 ms total)
+2: [       OK ] MpiSelfTest.Runs (1 ms)
+2: [----------] 1 test from MpiSelfTest (1 ms total)
 2: 
 2: [----------] Global test environment tear-down
-2: [==========] 1 test from 1 test case ran. (0 ms total)
+2: [==========] 1 test from 1 test case ran. (1 ms total)
 2: [  PASSED  ] 1 test.
- 2/30 Test  #2: TestUtilsMpiUnitTests ............   Passed    0.04 sec
+ 2/30 Test  #2: TestUtilsMpiUnitTests ............   Passed    0.03 sec
 test 3
       Start  3: UtilityUnitTests
 
@@ -104857,7 +104926,7 @@
 3: [       OK ] AllocatorTest/3.Move (0 ms)
 3: [ RUN      ] AllocatorTest/3.StatelessAllocatorUsesNoMemory
 3: [       OK ] AllocatorTest/3.StatelessAllocatorUsesNoMemory (0 ms)
-3: [----------] 5 tests from AllocatorTest/3 (1 ms total)
+3: [----------] 5 tests from AllocatorTest/3 (0 ms total)
 3: 
 3: [----------] 5 tests from AllocatorTest/4, where TypeParam = gmx::Allocator<gmx::BasicVector<float>, gmx::AlignedAllocationPolicy>
 3: [ RUN      ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment
@@ -104937,10 +105006,10 @@
 3: [ RUN      ] ArrayRefTest/1.ConstructFromVectorWorks
 3: [       OK ] ArrayRefTest/1.ConstructFromVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/1.ConstructFromNonConstVectorWorks
-3: [       OK ] ArrayRefTest/1.ConstructFromNonConstVectorWorks (1 ms)
+3: [       OK ] ArrayRefTest/1.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/1 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/1 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef<int>
 3: [ RUN      ] ArrayRefTest/2.MakeWithAssignmentWorks
@@ -105003,7 +105072,7 @@
 3: [       OK ] ArrayRefTest/4.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/4 (0 ms total)
+3: [----------] 9 tests from ArrayRefTest/4 (1 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/5, where TypeParam = gmx::ArrayRef<unsigned long>
 3: [ RUN      ] ArrayRefTest/5.MakeWithAssignmentWorks
@@ -105129,7 +105198,7 @@
 3: [       OK ] ArrayRefTest/10.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/10 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/10 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/11, where TypeParam = gmx::ArrayRef<unsigned char const>
 3: [ RUN      ] ArrayRefTest/11.MakeWithAssignmentWorks
@@ -105297,7 +105366,7 @@
 3: [       OK ] ArrayRefTest/18.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/18 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/18 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/19, where TypeParam = gmx::ArrayRef<double const>
 3: [ RUN      ] ArrayRefTest/19.MakeWithAssignmentWorks
@@ -105357,14 +105426,14 @@
 3: [ RUN      ] FixedCapacityVectorTest.EmplaceBackWorks
 3: [       OK ] FixedCapacityVectorTest.EmplaceBackWorks (0 ms)
 3: [ RUN      ] FixedCapacityVectorTest.AtThrows
-3: [       OK ] FixedCapacityVectorTest.AtThrows (0 ms)
+3: [       OK ] FixedCapacityVectorTest.AtThrows (1 ms)
 3: [ RUN      ] FixedCapacityVectorTest.IteratorWorks
 3: [       OK ] FixedCapacityVectorTest.IteratorWorks (0 ms)
 3: [ RUN      ] FixedCapacityVectorTest.ReverseIteratorWorks
 3: [       OK ] FixedCapacityVectorTest.ReverseIteratorWorks (0 ms)
 3: [ RUN      ] FixedCapacityVectorTest.ZeroCapacityWorks
 3: [       OK ] FixedCapacityVectorTest.ZeroCapacityWorks (0 ms)
-3: [----------] 9 tests from FixedCapacityVectorTest (0 ms total)
+3: [----------] 9 tests from FixedCapacityVectorTest (1 ms total)
 3: 
 3: [----------] 5 tests from InMemorySerializerTest
 3: [ RUN      ] InMemorySerializerTest.Roundtrip
@@ -105381,14 +105450,14 @@
 3: 
 3: [----------] 4 tests from KeyValueTreeSerializerTest
 3: [ RUN      ] KeyValueTreeSerializerTest.EmptyTree
-3: [       OK ] KeyValueTreeSerializerTest.EmptyTree (1 ms)
+3: [       OK ] KeyValueTreeSerializerTest.EmptyTree (0 ms)
 3: [ RUN      ] KeyValueTreeSerializerTest.SimpleObject
 3: [       OK ] KeyValueTreeSerializerTest.SimpleObject (0 ms)
 3: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithArrays
 3: [       OK ] KeyValueTreeSerializerTest.ObjectWithArrays (0 ms)
 3: [ RUN      ] KeyValueTreeSerializerTest.ObjectWithObjects
 3: [       OK ] KeyValueTreeSerializerTest.ObjectWithObjects (0 ms)
-3: [----------] 4 tests from KeyValueTreeSerializerTest (1 ms total)
+3: [----------] 4 tests from KeyValueTreeSerializerTest (0 ms total)
 3: 
 3: [----------] 6 tests from TreeValueTransformTest
 3: [ RUN      ] TreeValueTransformTest.SimpleTransforms
@@ -105398,12 +105467,12 @@
 3: [ RUN      ] TreeValueTransformTest.SimpleTransformsToObject
 3: [       OK ] TreeValueTransformTest.SimpleTransformsToObject (0 ms)
 3: [ RUN      ] TreeValueTransformTest.ObjectFromString
-3: [       OK ] TreeValueTransformTest.ObjectFromString (1 ms)
+3: [       OK ] TreeValueTransformTest.ObjectFromString (0 ms)
 3: [ RUN      ] TreeValueTransformTest.ObjectFromMultipleStrings
 3: [       OK ] TreeValueTransformTest.ObjectFromMultipleStrings (0 ms)
 3: [ RUN      ] TreeValueTransformTest.ScopedTransformRules
 3: [       OK ] TreeValueTransformTest.ScopedTransformRules (0 ms)
-3: [----------] 6 tests from TreeValueTransformTest (1 ms total)
+3: [----------] 6 tests from TreeValueTransformTest (0 ms total)
 3: 
 3: [----------] 1 test from TreeValueTransformErrorTest
 3: [ RUN      ] TreeValueTransformErrorTest.ConversionError
@@ -105440,12 +105509,12 @@
 3: 
 3: [----------] 3 tests from MutexTaskTest
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithLock
-3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (1 ms)
+3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (3 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread
 3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (0 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread
 3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms)
-3: [----------] 3 tests from MutexTaskTest (1 ms total)
+3: [----------] 3 tests from MutexTaskTest (4 ms total)
 3: 
 3: [----------] 2 tests from PathTest
 3: [ RUN      ] PathTest.StripSourcePrefixWorks
@@ -105480,7 +105549,7 @@
 3: [       OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms)
 3: [ RUN      ] StringUtilityTest.CanCompareCaseInsensitiveInLength
 3: [       OK ] StringUtilityTest.CanCompareCaseInsensitiveInLength (0 ms)
-3: [----------] 9 tests from StringUtilityTest (1 ms total)
+3: [----------] 9 tests from StringUtilityTest (0 ms total)
 3: 
 3: [----------] 2 tests from FormatStringTest
 3: [ RUN      ] FormatStringTest.HandlesBasicFormatting
@@ -105529,7 +105598,7 @@
 3: [ RUN      ] TextLineWrapperTest.WrapsCorrectly
 3: [       OK ] TextLineWrapperTest.WrapsCorrectly (0 ms)
 3: [ RUN      ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks
-3: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks (1 ms)
+3: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks (0 ms)
 3: [ RUN      ] TextLineWrapperTest.HandlesIndent
 3: [       OK ] TextLineWrapperTest.HandlesIndent (0 ms)
 3: [ RUN      ] TextLineWrapperTest.HandlesIndentWithEmptyLines
@@ -105540,7 +105609,7 @@
 3: [       OK ] TextLineWrapperTest.HandlesContinuationCharacter (0 ms)
 3: [ RUN      ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace
 3: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms)
-3: [----------] 10 tests from TextLineWrapperTest (1 ms total)
+3: [----------] 10 tests from TextLineWrapperTest (0 ms total)
 3: 
 3: [----------] 6 tests from TextWriterTest
 3: [ RUN      ] TextWriterTest.WritesLines
@@ -105550,12 +105619,12 @@
 3: [ RUN      ] TextWriterTest.WritesWrappedLines
 3: [       OK ] TextWriterTest.WritesWrappedLines (0 ms)
 3: [ RUN      ] TextWriterTest.WritesLinesInPartsWithWrapper
-3: [       OK ] TextWriterTest.WritesLinesInPartsWithWrapper (0 ms)
+3: [       OK ] TextWriterTest.WritesLinesInPartsWithWrapper (3 ms)
 3: [ RUN      ] TextWriterTest.TracksNewlines
 3: [       OK ] TextWriterTest.TracksNewlines (0 ms)
 3: [ RUN      ] TextWriterTest.PreservesTrailingWhitespace
 3: [       OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms)
-3: [----------] 6 tests from TextWriterTest (0 ms total)
+3: [----------] 6 tests from TextWriterTest (3 ms total)
 3: 
 3: [----------] 1 test from TypeTraitsTest
 3: [ RUN      ] TypeTraitsTest.IsIntegralConstant
@@ -105602,7 +105671,7 @@
 3: [       OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 (0 ms)
 3: [ RUN      ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1
 3: [       OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 (0 ms)
-3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 (1 ms total)
+3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 (0 ms total)
 3: 
 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128
 3: [ RUN      ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0
@@ -105633,24 +105702,24 @@
 3: 
 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (3 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (2 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (1 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (2 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (3 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms)
-3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total)
+3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (10 ms total)
 3: 
 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0
@@ -105670,9 +105739,9 @@
 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total)
 3: 
 3: [----------] Global test environment tear-down
-3: [==========] 347 tests from 56 test cases ran. (12 ms total)
+3: [==========] 347 tests from 56 test cases ran. (20 ms total)
 3: [  PASSED  ] 347 tests.
- 3/30 Test  #3: UtilityUnitTests .................   Passed    0.05 sec
+ 3/30 Test  #3: UtilityUnitTests .................   Passed    0.04 sec
 test 4
       Start  4: UtilityMpiUnitTests
 
@@ -105682,15 +105751,15 @@
 4: [----------] Global test environment set-up.
 4: [----------] 2 tests from PhysicalNodeCommunicatorTest
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanConstruct
-4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (22 ms)
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanCallBarrier
-4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (1 ms)
-4: [----------] 2 tests from PhysicalNodeCommunicatorTest (1 ms total)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms)
+4: [----------] 2 tests from PhysicalNodeCommunicatorTest (23 ms total)
 4: 
 4: [----------] Global test environment tear-down
-4: [==========] 2 tests from 1 test case ran. (1 ms total)
+4: [==========] 2 tests from 1 test case ran. (23 ms total)
 4: [  PASSED  ] 2 tests.
- 4/30 Test  #4: UtilityMpiUnitTests ..............   Passed    0.04 sec
+ 4/30 Test  #4: UtilityMpiUnitTests ..............   Passed    0.11 sec
 test 5
       Start  5: MdlibUnitTest
 
@@ -105705,10 +105774,10 @@
 5: 
 5: [----------] 2 tests from PrEbinTest
 5: [ RUN      ] PrEbinTest.HandlesAverages
-5: [       OK ] PrEbinTest.HandlesAverages (0 ms)
+5: [       OK ] PrEbinTest.HandlesAverages (1 ms)
 5: [ RUN      ] PrEbinTest.HandlesEmptyAverages
 5: [       OK ] PrEbinTest.HandlesEmptyAverages (0 ms)
-5: [----------] 2 tests from PrEbinTest (0 ms total)
+5: [----------] 2 tests from PrEbinTest (1 ms total)
 5: 
 5: [----------] 4 tests from ShakeTest
 5: [ RUN      ] ShakeTest.ConstrainsOneBond
@@ -105724,7 +105793,7 @@
 5: [----------] 1 test from NullSignalTest
 5: [ RUN      ] NullSignalTest.NullSignallerWorks
 5: [       OK ] NullSignalTest.NullSignallerWorks (0 ms)
-5: [----------] 1 test from NullSignalTest (1 ms total)
+5: [----------] 1 test from NullSignalTest (0 ms total)
 5: 
 5: [----------] 7 tests from SignalTest
 5: [ RUN      ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace
@@ -105766,16 +105835,16 @@
 5: 
 5: [----------] 1 test from UpdateGroupsCog
 5: [ RUN      ] UpdateGroupsCog.ComputesCogs
-5: [       OK ] UpdateGroupsCog.ComputesCogs (1 ms)
-5: [----------] 1 test from UpdateGroupsCog (1 ms total)
+5: [       OK ] UpdateGroupsCog.ComputesCogs (0 ms)
+5: [----------] 1 test from UpdateGroupsCog (0 ms total)
 5: 
 5: [----------] 84 tests from WithParameters/ConstraintsTest
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/0
-5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (1 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/1
 5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/2
-5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/3
 5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/3 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0
@@ -105841,7 +105910,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11
-5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13
@@ -105909,7 +105978,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/8
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/9
-5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/10
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/11
@@ -105938,42 +106007,42 @@
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/23
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms)
-5: [----------] 84 tests from WithParameters/ConstraintsTest (5 ms total)
+5: [----------] 84 tests from WithParameters/ConstraintsTest (2 ms total)
 5: 
 5: [----------] 11 tests from WithParameters/EnergyOutputTest
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/0
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/1
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as single precision energy file
 5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/2
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/3
 5: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (0 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/4
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (11 ms)
+5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (4 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/5
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/6
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/7
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/8
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/9
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/10
 5: Opened /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (2 ms)
-5: [----------] 11 tests from WithParameters/EnergyOutputTest (35 ms total)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (1 ms)
+5: [----------] 11 tests from WithParameters/EnergyOutputTest (14 ms total)
 5: 
 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0
@@ -105985,7 +106054,7 @@
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4
-5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 (1 ms)
+5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6
@@ -106024,7 +106093,7 @@
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 (0 ms)
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7
 5: [       OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 (0 ms)
-5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (1 ms total)
+5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (0 ms total)
 5: 
 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression
 5: [ RUN      ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0
@@ -106059,11 +106128,11 @@
 5: 
 5: [----------] 16 tests from WithParameters/LeapFrogTest
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/0
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (0 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/1
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/1 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/2
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/2 (1 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/2 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/3
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/4
@@ -106071,7 +106140,7 @@
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/5
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/6
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (4 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (2 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/7
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/8
@@ -106079,26 +106148,26 @@
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/9
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/10
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (2 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/11
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/12
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/13
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (2 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/14
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (1 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/15
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (1 ms)
-5: [----------] 16 tests from WithParameters/LeapFrogTest (18 ms total)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (0 ms)
+5: [----------] 16 tests from WithParameters/LeapFrogTest (10 ms total)
 5: 
 5: [----------] 13 tests from WithParameters/SettleTest
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/0
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (0 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/1
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/2
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/2 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/2 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/3
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/3 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/4
@@ -106106,25 +106175,25 @@
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/5
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/6
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/7
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (0 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/8
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/9
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/10
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/11
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/12
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (1 ms)
-5: [----------] 13 tests from WithParameters/SettleTest (6 ms total)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (0 ms)
+5: [----------] 13 tests from WithParameters/SettleTest (4 ms total)
 5: 
 5: [----------] Global test environment tear-down
-5: [==========] 187 tests from 13 test cases ran. (67 ms total)
+5: [==========] 187 tests from 13 test cases ran. (31 ms total)
 5: [  PASSED  ] 187 tests.
- 5/30 Test  #5: MdlibUnitTest ....................   Passed    0.10 sec
+ 5/30 Test  #5: MdlibUnitTest ....................   Passed    0.07 sec
 test 6
       Start  6: AppliedForcesUnitTest
 
@@ -106156,7 +106225,7 @@
 6: [       OK ] DensityFittingOptionsTest.KvtToInternal (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent
 6: [       OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (0 ms)
-6: [----------] 8 tests from DensityFittingOptionsTest (1 ms total)
+6: [----------] 8 tests from DensityFittingOptionsTest (0 ms total)
 6: 
 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest
 6: [ RUN      ] DensityFittingAmplitudeLookupTest.Unity
@@ -106185,9 +106254,9 @@
 6: [----------] 3 tests from ElectricFieldTest (0 ms total)
 6: 
 6: [----------] Global test environment tear-down
-6: [==========] 20 tests from 4 test cases ran. (3 ms total)
+6: [==========] 20 tests from 4 test cases ran. (1 ms total)
 6: [  PASSED  ] 20 tests.
- 6/30 Test  #6: AppliedForcesUnitTest ............   Passed    0.03 sec
+ 6/30 Test  #6: AppliedForcesUnitTest ............   Passed    0.02 sec
 test 7
       Start  7: CommandLineUnitTests
 
@@ -106197,18 +106266,18 @@
 7: [----------] Global test environment set-up.
 7: [----------] 3 tests from CommandLineHelpModuleTest
 7: [ RUN      ] CommandLineHelpModuleTest.PrintsGeneralHelp
-7: [       OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (1 ms)
+7: [       OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (0 ms)
 7: [ RUN      ] CommandLineHelpModuleTest.PrintsHelpOnTopic
 7: [       OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms)
 7: [ RUN      ] CommandLineHelpModuleTest.ExportsHelp
 7: [       OK ] CommandLineHelpModuleTest.ExportsHelp (1 ms)
-7: [----------] 3 tests from CommandLineHelpModuleTest (2 ms total)
+7: [----------] 3 tests from CommandLineHelpModuleTest (1 ms total)
 7: 
 7: [----------] 7 tests from CommandLineHelpWriterTest
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionTypes
 7: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables
-7: [       OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (1 ms)
+7: [       OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongFileOptions
 7: [       OK ] CommandLineHelpWriterTest.HandlesLongFileOptions (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongOptions
@@ -106219,11 +106288,11 @@
 7: [       OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesKnownIssues
 7: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms)
-7: [----------] 7 tests from CommandLineHelpWriterTest (1 ms total)
+7: [----------] 7 tests from CommandLineHelpWriterTest (0 ms total)
 7: 
 7: [----------] 6 tests from CommandLineModuleManagerTest
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModule
-7: [       OK ] CommandLineModuleManagerTest.RunsModule (1 ms)
+7: [       OK ] CommandLineModuleManagerTest.RunsModule (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModuleHelp
 7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelp (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet
@@ -106234,7 +106303,7 @@
 7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames
 7: [       OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms)
-7: [----------] 6 tests from CommandLineModuleManagerTest (1 ms total)
+7: [----------] 6 tests from CommandLineModuleManagerTest (0 ms total)
 7: 
 7: [----------] 13 tests from CommandLineParserTest
 7: [ RUN      ] CommandLineParserTest.HandlesSingleValues
@@ -106244,7 +106313,7 @@
 7: [ RUN      ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument
 7: [       OK ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument (0 ms)
 7: [ RUN      ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument
-7: [       OK ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument (1 ms)
+7: [       OK ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument (0 ms)
 7: [ RUN      ] CommandLineParserTest.HandlesNegativeNumbers
 7: [       OK ] CommandLineParserTest.HandlesNegativeNumbers (0 ms)
 7: [ RUN      ] CommandLineParserTest.HandlesString
@@ -106271,14 +106340,14 @@
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryWithRelativePath
 7: [       OK ] CommandLineProgramContextTest.FindsBinaryWithRelativePath (0 ms)
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryFromPath
-7: [       OK ] CommandLineProgramContextTest.FindsBinaryFromPath (1 ms)
+7: [       OK ] CommandLineProgramContextTest.FindsBinaryFromPath (0 ms)
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory
 7: [       OK ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory (0 ms)
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink
 7: [       OK ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink (0 ms)
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink
 7: [       OK ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink (0 ms)
-7: [----------] 6 tests from CommandLineProgramContextTest (1 ms total)
+7: [----------] 6 tests from CommandLineProgramContextTest (0 ms total)
 7: 
 7: [----------] 3 tests from OutputNamesTest
 7: [ RUN      ] OutputNamesTest.CanBeSuffixed
@@ -106319,9 +106388,9 @@
 7: [ RUN      ] ParseCommonArgsTest.HandlesNonExistentInputFiles
 7: [       OK ] ParseCommonArgsTest.HandlesNonExistentInputFiles (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles
-7: [       OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (1 ms)
+7: [       OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified
-7: [       OK ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified (0 ms)
+7: [       OK ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified (1 ms)
 7: [ RUN      ] ParseCommonArgsTest.HandlesCompressedFiles
 7: [       OK ] ParseCommonArgsTest.HandlesCompressedFiles (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension
@@ -106329,15 +106398,15 @@
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFile
 7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName
-7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (1 ms)
+7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CanKeepUnknownArgs
 7: [       OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms)
-7: [----------] 21 tests from ParseCommonArgsTest (2 ms total)
+7: [----------] 21 tests from ParseCommonArgsTest (1 ms total)
 7: 
 7: [----------] Global test environment tear-down
-7: [==========] 59 tests from 7 test cases ran. (8 ms total)
+7: [==========] 59 tests from 7 test cases ran. (3 ms total)
 7: [  PASSED  ] 59 tests.
- 7/30 Test  #7: CommandLineUnitTests .............   Passed    0.04 sec
+ 7/30 Test  #7: CommandLineUnitTests .............   Passed    0.02 sec
 test 8
       Start  8: DomDecTests
 
@@ -106372,7 +106441,7 @@
 8: [----------] Global test environment tear-down
 8: [==========] 9 tests from 2 test cases ran. (0 ms total)
 8: [  PASSED  ] 9 tests.
- 8/30 Test  #8: DomDecTests ......................   Passed    0.02 sec
+ 8/30 Test  #8: DomDecTests ......................   Passed    0.01 sec
 test 9
       Start  9: EwaldUnitTests
 
@@ -106388,61 +106457,61 @@
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (3 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (1 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms)
-9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (4 ms total)
+9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (2 ms total)
 9: 
 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (2 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (0 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (5 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (2 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (0 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (0 ms)
-9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (35 ms total)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (1 ms)
+9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (18 ms total)
 9: 
 9: [----------] 144 tests from SaneInput/PmeGatherTest
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/0
@@ -106456,7 +106525,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/4
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/5
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/6
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/7
@@ -106466,9 +106535,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/9
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/10
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/11
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/12
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/13
@@ -106476,7 +106545,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/14
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/15
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/15 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/15 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/16
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/16 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/17
@@ -106484,11 +106553,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/18
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/19
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/20
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/21
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/22
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/23
@@ -106496,7 +106565,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/24
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/24 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/25
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/26
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/27
@@ -106504,11 +106573,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/28
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/28 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/29
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/30
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/31
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/32
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/32 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/33
@@ -106516,9 +106585,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/34
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/35
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/36
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/37
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/37 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/38
@@ -106530,17 +106599,17 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/41
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/42
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/42 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/42 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/43
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/43 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/44
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/45
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/45 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/46
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/46 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/47
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/48
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/48 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/49
@@ -106552,7 +106621,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/52
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/53
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/54
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/54 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/55
@@ -106562,7 +106631,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/57
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/57 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/58
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/59
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/60
@@ -106572,9 +106641,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/62
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/63
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/64
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/65
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/66
@@ -106582,7 +106651,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/67
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/67 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/68
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/69
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/70
@@ -106590,11 +106659,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/71
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/72
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/73
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/73 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/74
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/74 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/74 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/75
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/75 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/76
@@ -106606,9 +106675,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/79
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/79 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/80
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/80 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/80 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/81
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/82
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/83
@@ -106618,7 +106687,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/85
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/86
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/87
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/87 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/88
@@ -106626,7 +106695,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/89
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/90
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/90 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/90 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/91
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/91 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/92
@@ -106642,9 +106711,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/97
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/97 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/98
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/98 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/98 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/99
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/99 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/99 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/100
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/101
@@ -106654,7 +106723,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/103
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/104
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/105
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/105 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/106
@@ -106662,7 +106731,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/107
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/108
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/109
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/110
@@ -106678,11 +106747,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/115
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/115 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/116
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/117
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/117 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/118
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/119
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/120
@@ -106690,7 +106759,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/121
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/122
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/123
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/123 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/124
@@ -106700,9 +106769,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/126
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/126 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/127
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/128
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/129
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/130
@@ -106726,14 +106795,14 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/139
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/140
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/141
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/142
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/143
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (0 ms)
-9: [----------] 144 tests from SaneInput/PmeGatherTest (26 ms total)
+9: [----------] 144 tests from SaneInput/PmeGatherTest (16 ms total)
 9: 
 9: [----------] 16 tests from SaneInput/PmeSolveTest
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/0
@@ -106747,17 +106816,17 @@
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/4
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/8
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/9
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/10
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/11
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/12
@@ -106767,31 +106836,31 @@
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/14
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/15
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (0 ms)
-9: [----------] 16 tests from SaneInput/PmeSolveTest (8 ms total)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (1 ms)
+9: [----------] 16 tests from SaneInput/PmeSolveTest (7 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (1 ms)
 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (2 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2
@@ -106801,20 +106870,20 @@
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
-9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (4 ms total)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (1 ms)
+9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (3 ms total)
 9: 
 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4
@@ -106824,11 +106893,11 @@
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11
@@ -106836,47 +106905,47 @@
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (1 ms)
-9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (7 ms total)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (0 ms)
+9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (5 ms total)
 9: 
 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (1 ms)
-9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (7 ms total)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (0 ms)
+9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (6 ms total)
 9: 
 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4
@@ -106888,9 +106957,9 @@
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11
@@ -106899,11 +106968,11 @@
 9: 
 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4
@@ -106915,19 +106984,19 @@
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (3 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (2 ms)
 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (24 ms total)
 9: 
 9: [----------] Global test environment tear-down
-9: [==========] 257 tests from 10 test cases ran. (141 ms total)
+9: [==========] 257 tests from 10 test cases ran. (111 ms total)
 9: [  PASSED  ] 257 tests.
- 9/30 Test  #9: EwaldUnitTests ...................   Passed    0.19 sec
+ 9/30 Test  #9: EwaldUnitTests ...................   Passed    0.14 sec
 test 10
       Start 10: FFTUnitTests
 
@@ -106937,48 +107006,48 @@
 10: [----------] Global test environment set-up.
 10: [----------] 2 tests from ManyFFTTest
 10: [ RUN      ] ManyFFTTest.Complex1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (6 ms)
+10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (2 ms)
 10: [ RUN      ] ManyFFTTest.Real1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (10 ms)
-10: [----------] 2 tests from ManyFFTTest (17 ms total)
+10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (4 ms)
+10: [----------] 2 tests from ManyFFTTest (6 ms total)
 10: 
 10: [----------] 1 test from FFTTest
 10: [ RUN      ] FFTTest.Real2DLength18_15Test
-10: [       OK ] FFTTest.Real2DLength18_15Test (4 ms)
-10: [----------] 1 test from FFTTest (4 ms total)
+10: [       OK ] FFTTest.Real2DLength18_15Test (1 ms)
+10: [----------] 1 test from FFTTest (1 ms total)
 10: 
 10: [----------] 1 test from FFFTest3D
 10: [ RUN      ] FFFTest3D.Real5_6_9
-10: [       OK ] FFFTest3D.Real5_6_9 (2 ms)
-10: [----------] 1 test from FFFTest3D (3 ms total)
+10: [       OK ] FFFTest3D.Real5_6_9 (1 ms)
+10: [----------] 1 test from FFFTest3D (2 ms total)
 10: 
 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/0
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/1
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/2
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (3 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/4
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/0
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/1
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/1 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/2
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (5 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (3 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/4
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (7 ms)
-10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (20 ms total)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (3 ms)
+10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (8 ms total)
 10: 
 10: [----------] Global test environment tear-down
-10: [==========] 14 tests from 4 test cases ran. (45 ms total)
+10: [==========] 14 tests from 4 test cases ran. (17 ms total)
 10: [  PASSED  ] 14 tests.
-10/30 Test #10: FFTUnitTests .....................   Passed    0.07 sec
+10/30 Test #10: FFTUnitTests .....................   Passed    0.03 sec
 test 11
       Start 11: GpuUtilsUnitTests
 
@@ -107056,10 +107125,10 @@
 11: [ RUN      ] HostAllocatorTestNoMem/0.MoveConstruction
 11: [       OK ] HostAllocatorTestNoMem/0.MoveConstruction (0 ms)
 11: [ RUN      ] HostAllocatorTestNoMem/0.Swap
-11: [       OK ] HostAllocatorTestNoMem/0.Swap (0 ms)
+11: [       OK ] HostAllocatorTestNoMem/0.Swap (1 ms)
 11: [ RUN      ] HostAllocatorTestNoMem/0.Comparison
 11: [       OK ] HostAllocatorTestNoMem/0.Comparison (0 ms)
-11: [----------] 5 tests from HostAllocatorTestNoMem/0 (0 ms total)
+11: [----------] 5 tests from HostAllocatorTestNoMem/0 (1 ms total)
 11: 
 11: [----------] 5 tests from HostAllocatorTestNoMem/1, where TypeParam = float
 11: [ RUN      ] HostAllocatorTestNoMem/1.CreateVector
@@ -107173,7 +107242,7 @@
 11: [----------] Global test environment tear-down
 11: [==========] 62 tests from 20 test cases ran. (1 ms total)
 11: [  PASSED  ] 62 tests.
-11/30 Test #11: GpuUtilsUnitTests ................   Passed    0.03 sec
+11/30 Test #11: GpuUtilsUnitTests ................   Passed    0.02 sec
 test 12
       Start 12: HardwareUnitTests
 
@@ -107183,19 +107252,19 @@
 12: [----------] Global test environment set-up.
 12: [----------] 4 tests from HardwareTopologyTest
 12: [ RUN      ] HardwareTopologyTest.Execute
-12: [       OK ] HardwareTopologyTest.Execute (13 ms)
+12: [       OK ] HardwareTopologyTest.Execute (7 ms)
 12: [ RUN      ] HardwareTopologyTest.HwlocExecute
-12: [       OK ] HardwareTopologyTest.HwlocExecute (12 ms)
+12: [       OK ] HardwareTopologyTest.HwlocExecute (6 ms)
 12: [ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
-12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (12 ms)
+12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (7 ms)
 12: [ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
-12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (10 ms)
-12: [----------] 4 tests from HardwareTopologyTest (48 ms total)
+12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (8 ms)
+12: [----------] 4 tests from HardwareTopologyTest (28 ms total)
 12: 
 12: [----------] Global test environment tear-down
-12: [==========] 4 tests from 1 test case ran. (49 ms total)
+12: [==========] 4 tests from 1 test case ran. (28 ms total)
 12: [  PASSED  ] 4 tests.
-12/30 Test #12: HardwareUnitTests ................   Passed    0.07 sec
+12/30 Test #12: HardwareUnitTests ................   Passed    0.04 sec
 test 13
       Start 13: MathUnitTests
 
@@ -107215,10 +107284,10 @@
 13: 
 13: [----------] 2 tests from ArrayRefWithPaddingTest/0, where TypeParam = gmx::ArrayRefWithPadding<int>
 13: [ RUN      ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks
-13: [       OK ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks (1 ms)
+13: [       OK ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks (0 ms)
 13: [ RUN      ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks
 13: [       OK ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks (0 ms)
-13: [----------] 2 tests from ArrayRefWithPaddingTest/0 (1 ms total)
+13: [----------] 2 tests from ArrayRefWithPaddingTest/0 (0 ms total)
 13: 
 13: [----------] 2 tests from ArrayRefWithPaddingTest/1, where TypeParam = gmx::ArrayRefWithPadding<float>
 13: [ RUN      ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks
@@ -107236,7 +107305,7 @@
 13: 
 13: [----------] 8 tests from TranslateAndScaleTest
 13: [ RUN      ] TranslateAndScaleTest.identityTransformation
-13: [       OK ] TranslateAndScaleTest.identityTransformation (0 ms)
+13: [       OK ] TranslateAndScaleTest.identityTransformation (1 ms)
 13: [ RUN      ] TranslateAndScaleTest.translationWithIdentityScaling
 13: [       OK ] TranslateAndScaleTest.translationWithIdentityScaling (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingWithZeroTranslation
@@ -107251,11 +107320,11 @@
 13: [       OK ] TranslateAndScaleTest.scalingInverseNoZero (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero
 13: [       OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms)
-13: [----------] 8 tests from TranslateAndScaleTest (0 ms total)
+13: [----------] 8 tests from TranslateAndScaleTest (1 ms total)
 13: 
 13: [----------] 12 tests from DensitySimilarityTest
 13: [ RUN      ] DensitySimilarityTest.InnerProductIsCorrect
-13: [       OK ] DensitySimilarityTest.InnerProductIsCorrect (1 ms)
+13: [       OK ] DensitySimilarityTest.InnerProductIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.InnerProductGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.InnerProductGradientIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch
@@ -107269,16 +107338,16 @@
 13: [ RUN      ] DensitySimilarityTest.RelativeEntropyIsCorrect
 13: [       OK ] DensitySimilarityTest.RelativeEntropyIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect
-13: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (1 ms)
+13: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsOne
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (20 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (9 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (18 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (8 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (20 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (11 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (0 ms)
-13: [----------] 12 tests from DensitySimilarityTest (60 ms total)
+13: [----------] 12 tests from DensitySimilarityTest (28 ms total)
 13: 
 13: [----------] 6 tests from StructureSimilarityTest
 13: [ RUN      ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD
@@ -107357,7 +107426,7 @@
 13: [       OK ] FunctionTest.ErfAndErfInvAreInversesFloat (0 ms)
 13: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesDouble
 13: [       OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms)
-13: [----------] 21 tests from FunctionTest (1 ms total)
+13: [----------] 21 tests from FunctionTest (0 ms total)
 13: 
 13: [----------] 4 tests from GaussianOn1DLattice
 13: [ RUN      ] GaussianOn1DLattice.sumsCloseToOne
@@ -107386,10 +107455,10 @@
 13: [ RUN      ] GaussTransformTest.complementaryGaussAddToZero
 13: [       OK ] GaussTransformTest.complementaryGaussAddToZero (0 ms)
 13: [ RUN      ] GaussTransformTest.centerGaussianInCubeHasExpectedValues
-13: [       OK ] GaussTransformTest.centerGaussianInCubeHasExpectedValues (0 ms)
+13: [       OK ] GaussTransformTest.centerGaussianInCubeHasExpectedValues (1 ms)
 13: [ RUN      ] GaussTransformTest.view
 13: [       OK ] GaussTransformTest.view (0 ms)
-13: [----------] 9 tests from GaussTransformTest (0 ms total)
+13: [----------] 9 tests from GaussTransformTest (1 ms total)
 13: 
 13: [----------] 3 tests from DensityFittingForce
 13: [ RUN      ] DensityFittingForce.isZeroWhenMatchingDensity
@@ -107412,7 +107481,7 @@
 13: [       OK ] InvertBoxMatrixTest.IdentityIsImpotent (0 ms)
 13: [ RUN      ] InvertBoxMatrixTest.ComputesInverseInPlace
 13: [       OK ] InvertBoxMatrixTest.ComputesInverseInPlace (0 ms)
-13: [----------] 2 tests from InvertBoxMatrixTest (1 ms total)
+13: [----------] 2 tests from InvertBoxMatrixTest (0 ms total)
 13: 
 13: [----------] 15 tests from MatrixTest
 13: [ RUN      ] MatrixTest.canSetFromArray
@@ -107586,7 +107655,7 @@
 13: [       OK ] PaddedVectorTest/6.CanMoveAssign (0 ms)
 13: [ RUN      ] PaddedVectorTest/6.CanSwap
 13: [       OK ] PaddedVectorTest/6.CanSwap (0 ms)
-13: [----------] 4 tests from PaddedVectorTest/6 (1 ms total)
+13: [----------] 4 tests from PaddedVectorTest/6 (0 ms total)
 13: 
 13: [----------] 4 tests from PaddedVectorTest/7, where TypeParam = gmx::Allocator<double, gmx::AlignedAllocationPolicy>
 13: [ RUN      ] PaddedVectorTest/7.ConstructsResizesAndReserves
@@ -107696,12 +107765,12 @@
 13: [       OK ] RVecTest.MoveConstructorWorks (0 ms)
 13: [ RUN      ] RVecTest.MoveAssignmentWorks
 13: [       OK ] RVecTest.MoveAssignmentWorks (0 ms)
-13: [----------] 37 tests from RVecTest (0 ms total)
+13: [----------] 37 tests from RVecTest (1 ms total)
 13: 
 13: [----------] Global test environment tear-down
-13: [==========] 204 tests from 29 test cases ran. (65 ms total)
+13: [==========] 204 tests from 29 test cases ran. (32 ms total)
 13: [  PASSED  ] 204 tests.
-13/30 Test #13: MathUnitTests ....................   Passed    0.09 sec
+13/30 Test #13: MathUnitTests ....................   Passed    0.05 sec
 test 14
       Start 14: MdrunUtilityUnitTests
 
@@ -107721,7 +107790,7 @@
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads
 14: [       OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithUnknownHardware
-14: [       OK ] ThreadAffinityTest.DoesNothingWithUnknownHardware (1 ms)
+14: [       OK ] ThreadAffinityTest.DoesNothingWithUnknownHardware (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooManyThreads
 14: [       OK ] ThreadAffinityTest.DoesNothingWithTooManyThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooLargeOffset
@@ -107740,7 +107809,7 @@
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithAuto
 14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced
-14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms)
+14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (1 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads
 14: [       OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing
@@ -107761,9 +107830,9 @@
 15: [----------] Global test environment set-up.
 15: [----------] 6 tests from ThreadAffinityMultiRankTest
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsWholeNode
-15: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (1 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsWholeNode (0 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride
-15: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (1 ms)
+15: [       OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (0 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.PinsTwoNodes
 15: [       OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (0 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled
@@ -107771,30 +107840,30 @@
 15: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto
 15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (0 ms)
 15: [ RUN      ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce
-15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (1 ms)
-15: [----------] 6 tests from ThreadAffinityMultiRankTest (3 ms total)
+15: [       OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (0 ms)
+15: [----------] 6 tests from ThreadAffinityMultiRankTest (0 ms total)
 15: 
 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly
 15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (0 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (1 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly
 15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly
 15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (0 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (1 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (1 ms)
-15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (3 ms total)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (0 ms)
+15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (2 ms total)
 15: 
 15: [----------] Global test environment tear-down
-15: [==========] 13 tests from 2 test cases ran. (6 ms total)
+15: [==========] 13 tests from 2 test cases ran. (3 ms total)
 15: [  PASSED  ] 13 tests.
-15/30 Test #15: MdrunUtilityMpiUnitTests .........   Passed    0.05 sec
+15/30 Test #15: MdrunUtilityMpiUnitTests .........   Passed    0.10 sec
 test 16
       Start 16: MDSpanTests
 
@@ -107865,12 +107934,12 @@
 16: [ RUN      ] MdSpanTest/0.Extents
 16: [       OK ] MdSpanTest/0.Extents (0 ms)
 16: [ RUN      ] MdSpanTest/0.Strides
-16: [       OK ] MdSpanTest/0.Strides (1 ms)
+16: [       OK ] MdSpanTest/0.Strides (0 ms)
 16: [ RUN      ] MdSpanTest/0.Properties
 16: [       OK ] MdSpanTest/0.Properties (0 ms)
 16: [ RUN      ] MdSpanTest/0.Operator
 16: [       OK ] MdSpanTest/0.Operator (0 ms)
-16: [----------] 6 tests from MdSpanTest/0 (1 ms total)
+16: [----------] 6 tests from MdSpanTest/0 (0 ms total)
 16: 
 16: [----------] 6 tests from MdSpanTest/1, where TypeParam = gmx::basic_mdspan<float, gmx::extents<5l, -1l, 3l, -1l, 1l>, gmx::layout_right, gmx::accessor_basic<float> >
 16: [ RUN      ] MdSpanTest/1.Rank
@@ -107888,9 +107957,9 @@
 16: [----------] 6 tests from MdSpanTest/1 (0 ms total)
 16: 
 16: [----------] Global test environment tear-down
-16: [==========] 32 tests from 7 test cases ran. (1 ms total)
+16: [==========] 32 tests from 7 test cases ran. (0 ms total)
 16: [  PASSED  ] 32 tests.
-16/30 Test #16: MDSpanTests ......................   Passed    0.03 sec
+16/30 Test #16: MDSpanTests ......................   Passed    0.01 sec
 test 17
       Start 17: OnlineHelpUnitTests
 
@@ -107919,8 +107988,8 @@
 17: [ RUN      ] HelpManagerTest.HandlesSubTopics
 17: [       OK ] HelpManagerTest.HandlesSubTopics (0 ms)
 17: [ RUN      ] HelpManagerTest.HandlesInvalidTopics
-17: [       OK ] HelpManagerTest.HandlesInvalidTopics (1 ms)
-17: [----------] 3 tests from HelpManagerTest (1 ms total)
+17: [       OK ] HelpManagerTest.HandlesInvalidTopics (0 ms)
+17: [----------] 3 tests from HelpManagerTest (0 ms total)
 17: 
 17: [----------] 2 tests from HelpTopicFormattingTest
 17: [ RUN      ] HelpTopicFormattingTest.FormatsSimpleTopic
@@ -107949,15 +108018,15 @@
 17: [ RUN      ] HelpWriterContextTest.FormatsSimpleTable
 17: [       OK ] HelpWriterContextTest.FormatsSimpleTable (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsGridTable
-17: [       OK ] HelpWriterContextTest.FormatsGridTable (0 ms)
+17: [       OK ] HelpWriterContextTest.FormatsGridTable (1 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsTitles
 17: [       OK ] HelpWriterContextTest.FormatsTitles (0 ms)
 17: [----------] 11 tests from HelpWriterContextTest (1 ms total)
 17: 
 17: [----------] Global test environment tear-down
-17: [==========] 22 tests from 4 test cases ran. (3 ms total)
+17: [==========] 22 tests from 4 test cases ran. (1 ms total)
 17: [  PASSED  ] 22 tests.
-17/30 Test #17: OnlineHelpUnitTests ..............   Passed    0.03 sec
+17/30 Test #17: OnlineHelpUnitTests ..............   Passed    0.01 sec
 test 18
       Start 18: OptionsUnitTests
 
@@ -107973,10 +108042,10 @@
 18: [ RUN      ] AbstractOptionStorageTest.HandlesValueAddition
 18: [       OK ] AbstractOptionStorageTest.HandlesValueAddition (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.HandlesTooManyValueAddition
-18: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (1 ms)
+18: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.AllowsEmptyValues
 18: [       OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms)
-18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total)
+18: [----------] 5 tests from AbstractOptionStorageTest (0 ms total)
 18: 
 18: [----------] 8 tests from FileNameOptionTest
 18: [ RUN      ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension
@@ -108047,14 +108116,14 @@
 18: [ RUN      ] OptionsAssignerTest.HandlesMissingValue
 18: [       OK ] OptionsAssignerTest.HandlesMissingValue (0 ms)
 18: [ RUN      ] OptionsAssignerTest.HandlesExtraValue
-18: [       OK ] OptionsAssignerTest.HandlesExtraValue (1 ms)
+18: [       OK ] OptionsAssignerTest.HandlesExtraValue (0 ms)
 18: [ RUN      ] OptionsAssignerTest.HandlesGroups
 18: [       OK ] OptionsAssignerTest.HandlesGroups (0 ms)
 18: [ RUN      ] OptionsAssignerTest.HandlesSections
 18: [       OK ] OptionsAssignerTest.HandlesSections (0 ms)
 18: [ RUN      ] OptionsAssignerTest.HandlesMultipleSources
 18: [       OK ] OptionsAssignerTest.HandlesMultipleSources (0 ms)
-18: [----------] 9 tests from OptionsAssignerTest (1 ms total)
+18: [----------] 9 tests from OptionsAssignerTest (0 ms total)
 18: 
 18: [----------] 4 tests from OptionsAssignerBooleanTest
 18: [ RUN      ] OptionsAssignerBooleanTest.StoresYesValue
@@ -108128,7 +108197,7 @@
 18: [       OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable (0 ms)
 18: [ RUN      ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector
 18: [       OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector (0 ms)
-18: [----------] 9 tests from OptionsAssignerStringTest (1 ms total)
+18: [----------] 9 tests from OptionsAssignerStringTest (0 ms total)
 18: 
 18: [----------] 6 tests from OptionsAssignerEnumTest
 18: [ RUN      ] OptionsAssignerEnumTest.StoresSingleValue
@@ -108162,7 +108231,7 @@
 18: [       OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault (0 ms)
 18: [ RUN      ] RepeatingOptionSectionTest.HandlesNestedSections
 18: [       OK ] RepeatingOptionSectionTest.HandlesNestedSections (0 ms)
-18: [----------] 8 tests from RepeatingOptionSectionTest (0 ms total)
+18: [----------] 8 tests from RepeatingOptionSectionTest (1 ms total)
 18: 
 18: [----------] 1 test from TimeUnitManagerTest
 18: [ RUN      ] TimeUnitManagerTest.BasicOperations
@@ -108207,7 +108276,7 @@
 18: 
 18: [----------] 6 tests from TreeValueSupportAdjustTest
 18: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultValues
-18: [       OK ] TreeValueSupportAdjustTest.FillsDefaultValues (1 ms)
+18: [       OK ] TreeValueSupportAdjustTest.FillsDefaultValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultVectorValues
 18: [       OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultObjectValues
@@ -108218,7 +108287,7 @@
 18: [       OK ] TreeValueSupportAdjustTest.MergesDefaultValues (0 ms)
 18: [ RUN      ] TreeValueSupportAdjustTest.OrdersValues
 18: [       OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms)
-18: [----------] 6 tests from TreeValueSupportAdjustTest (1 ms total)
+18: [----------] 6 tests from TreeValueSupportAdjustTest (0 ms total)
 18: 
 18: [----------] 8 tests from TreeValueSupportTest
 18: [ RUN      ] TreeValueSupportTest.SupportsBooleanOption
@@ -108228,7 +108297,7 @@
 18: [ RUN      ] TreeValueSupportTest.SupportsInt64Option
 18: [       OK ] TreeValueSupportTest.SupportsInt64Option (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsStringOption
-18: [       OK ] TreeValueSupportTest.SupportsStringOption (1 ms)
+18: [       OK ] TreeValueSupportTest.SupportsStringOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsFloatOption
 18: [       OK ] TreeValueSupportTest.SupportsFloatOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsDoubleOption
@@ -108237,12 +108306,12 @@
 18: [       OK ] TreeValueSupportTest.SupportsEnumIntOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsEnumOption
 18: [       OK ] TreeValueSupportTest.SupportsEnumOption (0 ms)
-18: [----------] 8 tests from TreeValueSupportTest (1 ms total)
+18: [----------] 8 tests from TreeValueSupportTest (0 ms total)
 18: 
 18: [----------] Global test environment tear-down
-18: [==========] 110 tests from 18 test cases ran. (6 ms total)
+18: [==========] 110 tests from 18 test cases ran. (2 ms total)
 18: [  PASSED  ] 110 tests.
-18/30 Test #18: OptionsUnitTests .................   Passed    0.04 sec
+18/30 Test #18: OptionsUnitTests .................   Passed    0.02 sec
 test 19
       Start 19: PbcutilUnitTest
 
@@ -108252,8 +108321,8 @@
 19: [----------] Global test environment set-up.
 19: [----------] 1 test from PbcTest
 19: [ RUN      ] PbcTest.CalcShiftsWorks
-19: [       OK ] PbcTest.CalcShiftsWorks (1 ms)
-19: [----------] 1 test from PbcTest (1 ms total)
+19: [       OK ] PbcTest.CalcShiftsWorks (0 ms)
+19: [----------] 1 test from PbcTest (0 ms total)
 19: 
 19: [----------] 2 tests from PbcEnumsTest
 19: [ RUN      ] PbcEnumsTest.CenteringTypeNamesAreCorrect
@@ -108263,9 +108332,9 @@
 19: [----------] 2 tests from PbcEnumsTest (0 ms total)
 19: 
 19: [----------] Global test environment tear-down
-19: [==========] 3 tests from 2 test cases ran. (1 ms total)
+19: [==========] 3 tests from 2 test cases ran. (0 ms total)
 19: [  PASSED  ] 3 tests.
-19/30 Test #19: PbcutilUnitTest ..................   Passed    0.03 sec
+19/30 Test #19: PbcutilUnitTest ..................   Passed    0.01 sec
 test 20
       Start 20: RandomUnitTests
 
@@ -108328,8 +108397,8 @@
 20: 
 20: [----------] 1 test from TabulatedNormalDistributionTableTest
 20: [ RUN      ] TabulatedNormalDistributionTableTest.HasValidProperties
-20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (2 ms)
-20: [----------] 1 test from TabulatedNormalDistributionTableTest (2 ms total)
+20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (0 ms)
+20: [----------] 1 test from TabulatedNormalDistributionTableTest (0 ms total)
 20: 
 20: [----------] 6 tests from ThreeFry2x64Test
 20: [ RUN      ] ThreeFry2x64Test.Logical
@@ -108389,12 +108458,12 @@
 20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (0 ms)
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2
 20: [       OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (0 ms)
-20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (1 ms total)
+20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (0 ms total)
 20: 
 20: [----------] Global test environment tear-down
-20: [==========] 44 tests from 10 test cases ran. (5 ms total)
+20: [==========] 44 tests from 10 test cases ran. (2 ms total)
 20: [  PASSED  ] 44 tests.
-20/30 Test #20: RandomUnitTests ..................   Passed    0.04 sec
+20/30 Test #20: RandomUnitTests ..................   Passed    0.02 sec
 test 21
       Start 21: RestraintTests
 
@@ -108404,13 +108473,13 @@
 21: [----------] Global test environment set-up.
 21: [----------] 1 test from RestraintManager
 21: [ RUN      ] RestraintManager.restraintList
-21: [       OK ] RestraintManager.restraintList (1 ms)
-21: [----------] 1 test from RestraintManager (1 ms total)
+21: [       OK ] RestraintManager.restraintList (0 ms)
+21: [----------] 1 test from RestraintManager (0 ms total)
 21: 
 21: [----------] Global test environment tear-down
-21: [==========] 1 test from 1 test case ran. (1 ms total)
+21: [==========] 1 test from 1 test case ran. (0 ms total)
 21: [  PASSED  ] 1 test.
-21/30 Test #21: RestraintTests ...................   Passed    0.02 sec
+21/30 Test #21: RestraintTests ...................   Passed    0.01 sec
 test 22
       Start 22: TableUnitTests
 
@@ -108420,54 +108489,54 @@
 22: [----------] Global test environment set-up.
 22: [----------] 10 tests from SplineTableTest/0, where TypeParam = gmx::QuadraticSplineTable
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectInput
-22: [       OK ] SplineTableTest/0.HandlesIncorrectInput (2 ms)
+22: [       OK ] SplineTableTest/0.HandlesIncorrectInput (0 ms)
 22: [ RUN      ] SplineTableTest/0.Sinc
 22: [       OK ] SplineTableTest/0.Sinc (0 ms)
 22: [ RUN      ] SplineTableTest/0.LJ12
-22: [       OK ] SplineTableTest/0.LJ12 (13 ms)
+22: [       OK ] SplineTableTest/0.LJ12 (5 ms)
 22: [ RUN      ] SplineTableTest/0.PmeCorrection
-22: [       OK ] SplineTableTest/0.PmeCorrection (2 ms)
+22: [       OK ] SplineTableTest/0.PmeCorrection (0 ms)
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectNumericalInput
-22: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (0 ms)
+22: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (1 ms)
 22: [ RUN      ] SplineTableTest/0.NumericalInputPmeCorr
-22: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (1 ms)
+22: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (0 ms)
 22: [ RUN      ] SplineTableTest/0.TwoFunctions
-22: [       OK ] SplineTableTest/0.TwoFunctions (18 ms)
+22: [       OK ] SplineTableTest/0.TwoFunctions (10 ms)
 22: [ RUN      ] SplineTableTest/0.ThreeFunctions
-22: [       OK ] SplineTableTest/0.ThreeFunctions (16 ms)
+22: [       OK ] SplineTableTest/0.ThreeFunctions (9 ms)
 22: [ RUN      ] SplineTableTest/0.Simd
-22: [       OK ] SplineTableTest/0.Simd (3 ms)
+22: [       OK ] SplineTableTest/0.Simd (2 ms)
 22: [ RUN      ] SplineTableTest/0.SimdTwoFunctions
-22: [       OK ] SplineTableTest/0.SimdTwoFunctions (12 ms)
-22: [----------] 10 tests from SplineTableTest/0 (67 ms total)
+22: [       OK ] SplineTableTest/0.SimdTwoFunctions (9 ms)
+22: [----------] 10 tests from SplineTableTest/0 (38 ms total)
 22: 
 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectInput
 22: [       OK ] SplineTableTest/1.HandlesIncorrectInput (0 ms)
 22: [ RUN      ] SplineTableTest/1.Sinc
-22: [       OK ] SplineTableTest/1.Sinc (1 ms)
+22: [       OK ] SplineTableTest/1.Sinc (0 ms)
 22: [ RUN      ] SplineTableTest/1.LJ12
 22: [       OK ] SplineTableTest/1.LJ12 (1 ms)
 22: [ RUN      ] SplineTableTest/1.PmeCorrection
 22: [       OK ] SplineTableTest/1.PmeCorrection (0 ms)
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectNumericalInput
-22: [       OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (0 ms)
+22: [       OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (1 ms)
 22: [ RUN      ] SplineTableTest/1.NumericalInputPmeCorr
-22: [       OK ] SplineTableTest/1.NumericalInputPmeCorr (1 ms)
+22: [       OK ] SplineTableTest/1.NumericalInputPmeCorr (0 ms)
 22: [ RUN      ] SplineTableTest/1.TwoFunctions
 22: [       OK ] SplineTableTest/1.TwoFunctions (1 ms)
 22: [ RUN      ] SplineTableTest/1.ThreeFunctions
 22: [       OK ] SplineTableTest/1.ThreeFunctions (2 ms)
 22: [ RUN      ] SplineTableTest/1.Simd
-22: [       OK ] SplineTableTest/1.Simd (1 ms)
+22: [       OK ] SplineTableTest/1.Simd (0 ms)
 22: [ RUN      ] SplineTableTest/1.SimdTwoFunctions
 22: [       OK ] SplineTableTest/1.SimdTwoFunctions (1 ms)
-22: [----------] 10 tests from SplineTableTest/1 (8 ms total)
+22: [----------] 10 tests from SplineTableTest/1 (6 ms total)
 22: 
 22: [----------] Global test environment tear-down
-22: [==========] 20 tests from 2 test cases ran. (75 ms total)
+22: [==========] 20 tests from 2 test cases ran. (45 ms total)
 22: [  PASSED  ] 20 tests.
-22/30 Test #22: TableUnitTests ...................   Passed    0.10 sec
+22/30 Test #22: TableUnitTests ...................   Passed    0.06 sec
 test 23
       Start 23: TaskAssignmentUnitTests
 
@@ -108484,13 +108553,13 @@
 23: 
 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest
 23: [ RUN      ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow
-23: [       OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (1 ms)
-23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (1 ms total)
+23: [       OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (0 ms)
+23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (0 ms total)
 23: 
 23: [----------] Global test environment tear-down
-23: [==========] 3 tests from 2 test cases ran. (1 ms total)
+23: [==========] 3 tests from 2 test cases ran. (0 ms total)
 23: [  PASSED  ] 3 tests.
-23/30 Test #23: TaskAssignmentUnitTests ..........   Passed    0.03 sec
+23/30 Test #23: TaskAssignmentUnitTests ..........   Passed    0.01 sec
 test 24
       Start 24: TopologyTest
 
@@ -108509,10 +108578,10 @@
 24: 
 24: [----------] 2 tests from MtopTest
 24: [ RUN      ] MtopTest.RangeBasedLoop
-24: [       OK ] MtopTest.RangeBasedLoop (0 ms)
+24: [       OK ] MtopTest.RangeBasedLoop (1 ms)
 24: [ RUN      ] MtopTest.Operators
 24: [       OK ] MtopTest.Operators (0 ms)
-24: [----------] 2 tests from MtopTest (0 ms total)
+24: [----------] 2 tests from MtopTest (1 ms total)
 24: 
 24: [----------] 6 tests from SymtabTest
 24: [ RUN      ] SymtabTest.EmptyOnOpen
@@ -108527,12 +108596,12 @@
 24: [       OK ] SymtabTest.AddLargeNumberOfEntries (0 ms)
 24: [ RUN      ] SymtabTest.NoDuplicatesInLargeTable
 24: [       OK ] SymtabTest.NoDuplicatesInLargeTable (0 ms)
-24: [----------] 6 tests from SymtabTest (1 ms total)
+24: [----------] 6 tests from SymtabTest (0 ms total)
 24: 
 24: [----------] Global test environment tear-down
 24: [==========] 11 tests from 3 test cases ran. (1 ms total)
 24: [  PASSED  ] 11 tests.
-24/30 Test #24: TopologyTest .....................   Passed    0.02 sec
+24/30 Test #24: TopologyTest .....................   Passed    0.01 sec
 test 25
       Start 25: PullTest
 
@@ -108556,7 +108625,7 @@
 25: [----------] Global test environment tear-down
 25: [==========] 5 tests from 1 test case ran. (0 ms total)
 25: [  PASSED  ] 5 tests.
-25/30 Test #25: PullTest .........................   Passed    0.03 sec
+25/30 Test #25: PullTest .........................   Passed    0.01 sec
 test 26
       Start 26: AwhTest
 
@@ -108566,13 +108635,13 @@
 26: [----------] Global test environment set-up.
 26: [----------] 1 test from BiasTest
 26: [ RUN      ] BiasTest.DetectsCovering
-26: [       OK ] BiasTest.DetectsCovering (1 ms)
-26: [----------] 1 test from BiasTest (1 ms total)
+26: [       OK ] BiasTest.DetectsCovering (0 ms)
+26: [----------] 1 test from BiasTest (0 ms total)
 26: 
 26: [----------] 1 test from gridTest
 26: [ RUN      ] gridTest.neighborhood
-26: [       OK ] gridTest.neighborhood (2 ms)
-26: [----------] 1 test from gridTest (2 ms total)
+26: [       OK ] gridTest.neighborhood (1 ms)
+26: [----------] 1 test from gridTest (1 ms total)
 26: 
 26: [----------] 8 tests from WithParameters/BiasTest
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/0
@@ -108580,7 +108649,7 @@
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/1
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/2
-26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (0 ms)
+26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (1 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/3
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/4
@@ -108591,19 +108660,19 @@
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/7
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (0 ms)
-26: [----------] 8 tests from WithParameters/BiasTest (4 ms total)
+26: [----------] 8 tests from WithParameters/BiasTest (1 ms total)
 26: 
 26: [----------] 2 tests from WithParameters/BiasStateTest
 26: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/0
-26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (0 ms)
+26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (1 ms)
 26: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/1
-26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (1 ms)
+26: [       OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (0 ms)
 26: [----------] 2 tests from WithParameters/BiasStateTest (1 ms total)
 26: 
 26: [----------] Global test environment tear-down
-26: [==========] 12 tests from 4 test cases ran. (8 ms total)
+26: [==========] 12 tests from 4 test cases ran. (3 ms total)
 26: [  PASSED  ] 12 tests.
-26/30 Test #26: AwhTest ..........................   Passed    0.03 sec
+26/30 Test #26: AwhTest ..........................   Passed    0.02 sec
 test 27
       Start 27: SimdUnitTests
 
@@ -108722,7 +108791,7 @@
 27: [       OK ] SimdFloatingpointTest.cvtFloat2Double (0 ms)
 27: [ RUN      ] SimdFloatingpointTest.cvtDouble2Float
 27: [       OK ] SimdFloatingpointTest.cvtDouble2Float (0 ms)
-27: [----------] 42 tests from SimdFloatingpointTest (1 ms total)
+27: [----------] 42 tests from SimdFloatingpointTest (0 ms total)
 27: 
 27: [----------] 16 tests from SimdFloatingpointUtilTest
 27: [ RUN      ] SimdFloatingpointUtilTest.gatherLoadTranspose4
@@ -108778,83 +108847,83 @@
 27: [ RUN      ] SimdMathTest.maskzInvsqrt
 27: [       OK ] SimdMathTest.maskzInvsqrt (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtPair
-27: [       OK ] SimdMathTest.invsqrtPair (1 ms)
+27: [       OK ] SimdMathTest.invsqrtPair (0 ms)
 27: [ RUN      ] SimdMathTest.sqrt
 27: [       OK ] SimdMathTest.sqrt (1 ms)
 27: [ RUN      ] SimdMathTest.sqrtUnsafe
-27: [       OK ] SimdMathTest.sqrtUnsafe (1 ms)
+27: [       OK ] SimdMathTest.sqrtUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.inv
-27: [       OK ] SimdMathTest.inv (2 ms)
+27: [       OK ] SimdMathTest.inv (0 ms)
 27: [ RUN      ] SimdMathTest.maskzInv
 27: [       OK ] SimdMathTest.maskzInv (0 ms)
 27: [ RUN      ] SimdMathTest.cbrt
 27: [       OK ] SimdMathTest.cbrt (1 ms)
 27: [ RUN      ] SimdMathTest.invcbrt
-27: [       OK ] SimdMathTest.invcbrt (2 ms)
+27: [       OK ] SimdMathTest.invcbrt (1 ms)
 27: [ RUN      ] SimdMathTest.log2
-27: [       OK ] SimdMathTest.log2 (1 ms)
+27: [       OK ] SimdMathTest.log2 (0 ms)
 27: [ RUN      ] SimdMathTest.log
 27: [       OK ] SimdMathTest.log (1 ms)
 27: [ RUN      ] SimdMathTest.exp2
-27: [       OK ] SimdMathTest.exp2 (2 ms)
+27: [       OK ] SimdMathTest.exp2 (0 ms)
 27: [ RUN      ] SimdMathTest.exp2Unsafe
 27: [       OK ] SimdMathTest.exp2Unsafe (0 ms)
 27: [ RUN      ] SimdMathTest.exp
-27: [       OK ] SimdMathTest.exp (2 ms)
+27: [       OK ] SimdMathTest.exp (1 ms)
 27: [ RUN      ] SimdMathTest.expUnsafe
-27: [       OK ] SimdMathTest.expUnsafe (1 ms)
+27: [       OK ] SimdMathTest.expUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.pow
 27: [       OK ] SimdMathTest.pow (0 ms)
 27: [ RUN      ] SimdMathTest.powUnsafe
 27: [       OK ] SimdMathTest.powUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.erf
-27: [       OK ] SimdMathTest.erf (0 ms)
+27: [       OK ] SimdMathTest.erf (1 ms)
 27: [ RUN      ] SimdMathTest.erfc
-27: [       OK ] SimdMathTest.erfc (1 ms)
+27: [       OK ] SimdMathTest.erfc (0 ms)
 27: [ RUN      ] SimdMathTest.sin
-27: [       OK ] SimdMathTest.sin (1 ms)
+27: [       OK ] SimdMathTest.sin (0 ms)
 27: [ RUN      ] SimdMathTest.cos
 27: [       OK ] SimdMathTest.cos (1 ms)
 27: [ RUN      ] SimdMathTest.tan
-27: [       OK ] SimdMathTest.tan (2 ms)
+27: [       OK ] SimdMathTest.tan (0 ms)
 27: [ RUN      ] SimdMathTest.asin
-27: [       OK ] SimdMathTest.asin (0 ms)
+27: [       OK ] SimdMathTest.asin (1 ms)
 27: [ RUN      ] SimdMathTest.acos
-27: [       OK ] SimdMathTest.acos (1 ms)
+27: [       OK ] SimdMathTest.acos (0 ms)
 27: [ RUN      ] SimdMathTest.atan
-27: [       OK ] SimdMathTest.atan (1 ms)
+27: [       OK ] SimdMathTest.atan (0 ms)
 27: [ RUN      ] SimdMathTest.atan2
 27: [       OK ] SimdMathTest.atan2 (0 ms)
 27: [ RUN      ] SimdMathTest.pmeForceCorrection
-27: [       OK ] SimdMathTest.pmeForceCorrection (0 ms)
+27: [       OK ] SimdMathTest.pmeForceCorrection (1 ms)
 27: [ RUN      ] SimdMathTest.pmePotentialCorrection
 27: [       OK ] SimdMathTest.pmePotentialCorrection (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtSingleAccuracy
-27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtPairSingleAccuracy
-27: [       OK ] SimdMathTest.invsqrtPairSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.invsqrtPairSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracy
-27: [       OK ] SimdMathTest.sqrtSingleAccuracy (0 ms)
+27: [       OK ] SimdMathTest.sqrtSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracyUnsafe
 27: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.invSingleAccuracy
-27: [       OK ] SimdMathTest.invSingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.invSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.cbrtSingleAccuracy
 27: [       OK ] SimdMathTest.cbrtSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.invcbrtSingleAccuracy
-27: [       OK ] SimdMathTest.invcbrtSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.invcbrtSingleAccuracy (2 ms)
 27: [ RUN      ] SimdMathTest.log2SingleAccuracy
-27: [       OK ] SimdMathTest.log2SingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.log2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.logSingleAccuracy
 27: [       OK ] SimdMathTest.logSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracy
-27: [       OK ] SimdMathTest.exp2SingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.exp2SingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracyUnsafe
 27: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracy
 27: [       OK ] SimdMathTest.expSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (1 ms)
+27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracy
 27: [       OK ] SimdMathTest.powSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracyUnsafe
@@ -108862,17 +108931,17 @@
 27: [ RUN      ] SimdMathTest.erfSingleAccuracy
 27: [       OK ] SimdMathTest.erfSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.erfcSingleAccuracy
-27: [       OK ] SimdMathTest.erfcSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.erfcSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.sinSingleAccuracy
 27: [       OK ] SimdMathTest.sinSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.cosSingleAccuracy
-27: [       OK ] SimdMathTest.cosSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.cosSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.tanSingleAccuracy
 27: [       OK ] SimdMathTest.tanSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.asinSingleAccuracy
 27: [       OK ] SimdMathTest.asinSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.acosSingleAccuracy
-27: [       OK ] SimdMathTest.acosSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.acosSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.atanSingleAccuracy
 27: [       OK ] SimdMathTest.atanSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.atan2SingleAccuracy
@@ -108880,8 +108949,8 @@
 27: [ RUN      ] SimdMathTest.pmeForceCorrectionSingleAccuracy
 27: [       OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.pmePotentialCorrectionSingleAccuracy
-27: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (1 ms)
-27: [----------] 56 tests from SimdMathTest (42 ms total)
+27: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (0 ms)
+27: [----------] 56 tests from SimdMathTest (19 ms total)
 27: 
 27: [----------] 1 test from EmptyArrayRefTest
 27: [ RUN      ] EmptyArrayRefTest.IsEmpty
@@ -109007,7 +109076,7 @@
 27: [ RUN      ] Simd4FloatingpointTest.fma
 27: [       OK ] Simd4FloatingpointTest.fma (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.fms
-27: [       OK ] Simd4FloatingpointTest.fms (0 ms)
+27: [       OK ] Simd4FloatingpointTest.fms (1 ms)
 27: [ RUN      ] Simd4FloatingpointTest.fnma
 27: [       OK ] Simd4FloatingpointTest.fnma (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.fnms
@@ -109053,7 +109122,7 @@
 27: [ RUN      ] Simd4FloatingpointTest.blend
 27: [       OK ] Simd4FloatingpointTest.blend (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.reduce
-27: [       OK ] Simd4FloatingpointTest.reduce (1 ms)
+27: [       OK ] Simd4FloatingpointTest.reduce (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.dotProduct
 27: [       OK ] Simd4FloatingpointTest.dotProduct (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.transpose
@@ -109251,12 +109320,12 @@
 27: [       OK ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy (0 ms)
 27: [ RUN      ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy
 27: [       OK ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy (0 ms)
-27: [----------] 37 tests from SimdScalarMathTest (0 ms total)
+27: [----------] 37 tests from SimdScalarMathTest (1 ms total)
 27: 
 27: [----------] Global test environment tear-down
-27: [==========] 288 tests from 22 test cases ran. (44 ms total)
+27: [==========] 288 tests from 22 test cases ran. (21 ms total)
 27: [  PASSED  ] 288 tests.
-27/30 Test #27: SimdUnitTests ....................   Passed    0.07 sec
+27/30 Test #27: SimdUnitTests ....................   Passed    0.04 sec
 test 28
       Start 28: CompatibilityHelpersTests
 
@@ -109326,7 +109395,7 @@
 28: [ RUN      ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals
 28: [       OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals (0 ms)
 28: [ RUN      ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting
-28: [       OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting (1 ms)
+28: [       OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms)
 28: [ RUN      ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting
 28: [       OK ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms)
 28: [ RUN      ] OptionalTest.CanCopyAssignFromLiteral
@@ -109454,7 +109523,7 @@
 28: [       OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged (0 ms)
 28: [ RUN      ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged
 28: [       OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged (0 ms)
-28: [----------] 20 tests from OptionalIntValueTest (1 ms total)
+28: [----------] 20 tests from OptionalIntValueTest (0 ms total)
 28: 
 28: [----------] 1 test from NotNullConstruction
 28: [ RUN      ] NotNullConstruction.Works
@@ -109483,7 +109552,7 @@
 28: 
 28: [----------] 80 tests from StringViewTest
 28: [ RUN      ] StringViewTest.CanDefaultConstructEmptyView
-28: [       OK ] StringViewTest.CanDefaultConstructEmptyView (0 ms)
+28: [       OK ] StringViewTest.CanDefaultConstructEmptyView (1 ms)
 28: [ RUN      ] StringViewTest.CanConstructFromPointerAndSize
 28: [       OK ] StringViewTest.CanConstructFromPointerAndSize (0 ms)
 28: [ RUN      ] StringViewTest.CanConstructFromCString
@@ -109509,7 +109578,7 @@
 28: [ RUN      ] StringViewTest.CanObtainSizeFromViewViaLength
 28: [       OK ] StringViewTest.CanObtainSizeFromViewViaLength (0 ms)
 28: [ RUN      ] StringViewTest.CanObtainMaxSizeViaMaxSize
-28: [       OK ] StringViewTest.CanObtainMaxSizeViaMaxSize (1 ms)
+28: [       OK ] StringViewTest.CanObtainMaxSizeViaMaxSize (0 ms)
 28: [ RUN      ] StringViewTest.CanCheckForEmptyStringWithEmpty
 28: [       OK ] StringViewTest.CanCheckForEmptyStringWithEmpty (0 ms)
 28: [ RUN      ] StringViewTest.CanAccessElementViaArrayIndex
@@ -109642,7 +109711,7 @@
 28: [       OK ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString (0 ms)
 28: [ RUN      ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString
 28: [       OK ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString (0 ms)
-28: [----------] 80 tests from StringViewTest (2 ms total)
+28: [----------] 80 tests from StringViewTest (1 ms total)
 28: 
 28: [----------] 5 tests from StringViewExtensionTest
 28: [ RUN      ] StringViewExtensionTest.CanConstructViewFromString
@@ -109658,9 +109727,9 @@
 28: [----------] 5 tests from StringViewExtensionTest (0 ms total)
 28: 
 28: [----------] Global test environment tear-down
-28: [==========] 170 tests from 12 test cases ran. (4 ms total)
+28: [==========] 170 tests from 12 test cases ran. (2 ms total)
 28: [  PASSED  ] 170 tests.
-28/30 Test #28: CompatibilityHelpersTests ........   Passed    0.03 sec
+28/30 Test #28: CompatibilityHelpersTests ........   Passed    0.02 sec
 test 29
       Start 29: FileIOTests
 
@@ -109682,18 +109751,18 @@
 29: [       OK ] MrcSerializer.DefaultHeaderHasRightSerialSize (0 ms)
 29: [ RUN      ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip
 29: [       OK ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip (1 ms)
-29: [----------] 3 tests from MrcSerializer (2 ms total)
+29: [----------] 3 tests from MrcSerializer (1 ms total)
 29: 
 29: [----------] 4 tests from MrcDensityMap
 29: [ RUN      ] MrcDensityMap.RoundTripIsIdempotent
-29: [       OK ] MrcDensityMap.RoundTripIsIdempotent (1 ms)
+29: [       OK ] MrcDensityMap.RoundTripIsIdempotent (0 ms)
 29: [ RUN      ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent
 29: [       OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (0 ms)
 29: [ RUN      ] MrcDensityMap.ReadsCoordinateTransformationFromFile
 29: [       OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms)
 29: [ RUN      ] MrcDensityMap.ReadsDensityDataFromFile
-29: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (2 ms)
-29: [----------] 4 tests from MrcDensityMap (3 ms total)
+29: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (1 ms)
+29: [----------] 4 tests from MrcDensityMap (1 ms total)
 29: 
 29: [----------] 8 tests from MrcDensityMapHeaderTest
 29: [ RUN      ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader
@@ -109767,33 +109836,33 @@
 29: 
 29: [----------] 1 test from FileIOXdrSerializerTest
 29: [ RUN      ] FileIOXdrSerializerTest.SizeIsCorrect
-29: [       OK ] FileIOXdrSerializerTest.SizeIsCorrect (1 ms)
-29: [----------] 1 test from FileIOXdrSerializerTest (1 ms total)
+29: [       OK ] FileIOXdrSerializerTest.SizeIsCorrect (0 ms)
+29: [----------] 1 test from FileIOXdrSerializerTest (0 ms total)
 29: 
 29: [----------] 2 tests from TngTest
 29: [ RUN      ] TngTest.CanOpenTngFile
 29: TNG library: Cannot open file spc2-traj.tng. /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c: 890
 29: TNG library: Cannot open file spc2-traj.tng. /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c: 890
-29: [       OK ] TngTest.CanOpenTngFile (0 ms)
+29: [       OK ] TngTest.CanOpenTngFile (1 ms)
 29: [ RUN      ] TngTest.CloseBeforeOpenIsNotFatal
 29: [       OK ] TngTest.CloseBeforeOpenIsNotFatal (0 ms)
-29: [----------] 2 tests from TngTest (0 ms total)
+29: [----------] 2 tests from TngTest (1 ms total)
 29: 
 29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0
 29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (0 ms)
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1
-29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (1 ms)
+29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (0 ms)
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2
-29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (2 ms)
+29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (1 ms)
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3
 29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (0 ms)
-29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (3 ms total)
+29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (1 ms total)
 29: 
 29: [----------] Global test environment tear-down
-29: [==========] 33 tests from 8 test cases ran. (10 ms total)
+29: [==========] 33 tests from 8 test cases ran. (5 ms total)
 29: [  PASSED  ] 33 tests.
-29/30 Test #29: FileIOTests ......................   Passed    0.04 sec
+29/30 Test #29: FileIOTests ......................   Passed    0.02 sec
 test 30
       Start 30: SelectionUnitTests
 
@@ -109808,9 +109877,9 @@
 30: 
 30: [----------] 15 tests from IndexBlockTest
 30: [ RUN      ] IndexBlockTest.CreatesUnknownBlock
-30: [       OK ] IndexBlockTest.CreatesUnknownBlock (0 ms)
+30: [       OK ] IndexBlockTest.CreatesUnknownBlock (1 ms)
 30: [ RUN      ] IndexBlockTest.CreatesAtomBlock
-30: [       OK ] IndexBlockTest.CreatesAtomBlock (1 ms)
+30: [       OK ] IndexBlockTest.CreatesAtomBlock (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology
 30: [       OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesResidueBlocksForComplexTopology
@@ -109818,7 +109887,7 @@
 30: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology
 30: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology
-30: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (1 ms)
+30: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesSingleBlock
 30: [       OK ] IndexBlockTest.CreatesSingleBlock (0 ms)
 30: [ RUN      ] IndexBlockTest.ChecksGroupForFullBlocksPositive
@@ -109837,7 +109906,7 @@
 30: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms)
 30: [ RUN      ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative
 30: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms)
-30: [----------] 15 tests from IndexBlockTest (2 ms total)
+30: [----------] 15 tests from IndexBlockTest (1 ms total)
 30: 
 30: [----------] 11 tests from IndexMapTest
 30: [ RUN      ] IndexMapTest.InitializesAtomBlock
@@ -109853,7 +109922,7 @@
 30: [ RUN      ] IndexMapTest.InitializesOrgIdGroupAll
 30: [       OK ] IndexMapTest.InitializesOrgIdGroupAll (0 ms)
 30: [ RUN      ] IndexMapTest.InitializesMoleculeBlock
-30: [       OK ] IndexMapTest.InitializesMoleculeBlock (1 ms)
+30: [       OK ] IndexMapTest.InitializesMoleculeBlock (0 ms)
 30: [ RUN      ] IndexMapTest.MapsSingleBlock
 30: [       OK ] IndexMapTest.MapsSingleBlock (0 ms)
 30: [ RUN      ] IndexMapTest.MapsResidueBlocks
@@ -109861,8 +109930,8 @@
 30: [ RUN      ] IndexMapTest.MapsResidueBlocksWithMask
 30: [       OK ] IndexMapTest.MapsResidueBlocksWithMask (0 ms)
 30: [ RUN      ] IndexMapTest.HandlesMultipleRequests
-30: [       OK ] IndexMapTest.HandlesMultipleRequests (1 ms)
-30: [----------] 11 tests from IndexMapTest (3 ms total)
+30: [       OK ] IndexMapTest.HandlesMultipleRequests (0 ms)
+30: [----------] 11 tests from IndexMapTest (1 ms total)
 30: 
 30: [----------] 3 tests from IndexGroupsAndNamesTest
 30: [ RUN      ] IndexGroupsAndNamesTest.containsNames
@@ -109875,25 +109944,25 @@
 30: 
 30: [----------] 15 tests from NeighborhoodSearchTest
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSearch
-30: [       OK ] NeighborhoodSearchTest.SimpleSearch (20 ms)
+30: [       OK ] NeighborhoodSearchTest.SimpleSearch (7 ms)
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSearchXY
-30: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (16 ms)
+30: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (7 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchBox
-30: [       OK ] NeighborhoodSearchTest.GridSearchBox (2 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSearchBox (1 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchTriclinic
-30: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (8 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (4 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearch2DPBC
-30: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (3 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (2 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchNoPBC
 30: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (1 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchXYBox
-30: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (2 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (1 ms)
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSelfPairsSearch
 30: [       OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSelfPairsSearch
-30: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (27 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (19 ms)
 30: [ RUN      ] NeighborhoodSearchTest.HandlesConcurrentSearches
-30: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms)
+30: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (1 ms)
 30: [ RUN      ] NeighborhoodSearchTest.HandlesNoPBC
 30: [       OK ] NeighborhoodSearchTest.HandlesNoPBC (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.HandlesNullPBC
@@ -109901,10 +109970,10 @@
 30: [ RUN      ] NeighborhoodSearchTest.HandlesSkippingPairs
 30: [       OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSearchExclusions
-30: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (2 ms)
+30: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (1 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchExclusions
-30: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms)
-30: [----------] 15 tests from NeighborhoodSearchTest (81 ms total)
+30: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (1 ms)
+30: [----------] 15 tests from NeighborhoodSearchTest (45 ms total)
 30: 
 30: [----------] 12 tests from PositionCalculationTest
 30: [ RUN      ] PositionCalculationTest.ComputesAtomPositions
@@ -109931,25 +110000,25 @@
 30: [       OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms)
 30: [ RUN      ] PositionCalculationTest.HandlesOverlappingStaticCalculations
 30: [       OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms)
-30: [----------] 12 tests from PositionCalculationTest (2 ms total)
+30: [----------] 12 tests from PositionCalculationTest (1 ms total)
 30: 
 30: [----------] 29 tests from SelectionCollectionTest
 30: [ RUN      ] SelectionCollectionTest.HandlesNoSelections
-30: [       OK ] SelectionCollectionTest.HandlesNoSelections (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesNoSelections (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType
-30: [       OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (0 ms)
+30: [       OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (1 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesVelocityAndForceRequests
 30: [       OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry
-30: [       OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (0 ms)
 30: [ RUN      ] SelectionCollectionTest.ParsesSelectionsFromFile
 30: [       OK ] SelectionCollectionTest.ParsesSelectionsFromFile (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesAtypicalWhitespace
 30: [       OK ] SelectionCollectionTest.HandlesAtypicalWhitespace (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesInvalidRegularExpressions
-30: [       OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (0 ms)
+30: [       OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (1 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue
-30: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue2
 30: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue3
@@ -109959,15 +110028,15 @@
 30: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2
 30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1
-30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2
 30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnsortedGroupReference
 30: [       OK ] SelectionCollectionTest.HandlesUnsortedGroupReference (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed
-30: [       OK ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed (0 ms)
+30: [       OK ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed (1 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup
-30: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed
 30: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2
@@ -109981,7 +110050,7 @@
 30: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation
 30: [       OK ] SelectionCollectionTest.RecoversFromInvalidPermutation (0 ms)
 30: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation2
-30: [       OK ] SelectionCollectionTest.RecoversFromInvalidPermutation2 (1 ms)
+30: [       OK ] SelectionCollectionTest.RecoversFromInvalidPermutation2 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation3
 30: [       OK ] SelectionCollectionTest.RecoversFromInvalidPermutation3 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets
@@ -109992,11 +110061,11 @@
 30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4
 30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (0 ms)
-30: [----------] 29 tests from SelectionCollectionTest (6 ms total)
+30: [----------] 29 tests from SelectionCollectionTest (5 ms total)
 30: 
 30: [----------] 14 tests from SelectionCollectionInteractiveTest
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesBasicInput
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (0 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (1 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesContinuation
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesContinuation (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput
@@ -110006,7 +110075,7 @@
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (0 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (1 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus
@@ -110014,48 +110083,48 @@
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (1 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesEmptySelections
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (1 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (0 ms)
-30: [----------] 14 tests from SelectionCollectionInteractiveTest (2 ms total)
+30: [----------] 14 tests from SelectionCollectionInteractiveTest (3 ms total)
 30: 
 30: [----------] 66 tests from SelectionCollectionDataTest
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAllNone
 30: [       OK ] SelectionCollectionDataTest.HandlesAllNone (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAtomnr
-30: [       OK ] SelectionCollectionDataTest.HandlesAtomnr (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesAtomnr (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesResnr
 30: [       OK ] SelectionCollectionDataTest.HandlesResnr (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesResIndex
-30: [       OK ] SelectionCollectionDataTest.HandlesResIndex (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesResIndex (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMolIndex
 30: [       OK ] SelectionCollectionDataTest.HandlesMolIndex (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAtomname
-30: [       OK ] SelectionCollectionDataTest.HandlesAtomname (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesAtomname (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPdbAtomname
 30: [       OK ] SelectionCollectionDataTest.HandlesPdbAtomname (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAtomtype
 30: [       OK ] SelectionCollectionDataTest.HandlesAtomtype (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesChain
-30: [       OK ] SelectionCollectionDataTest.HandlesChain (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesChain (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMass
 30: [       OK ] SelectionCollectionDataTest.HandlesMass (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesCharge
-30: [       OK ] SelectionCollectionDataTest.HandlesCharge (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesCharge (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAltLoc
 30: [       OK ] SelectionCollectionDataTest.HandlesAltLoc (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesInsertCode
 30: [       OK ] SelectionCollectionDataTest.HandlesInsertCode (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesOccupancy
-30: [       OK ] SelectionCollectionDataTest.HandlesOccupancy (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesOccupancy (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBeta
-30: [       OK ] SelectionCollectionDataTest.HandlesBeta (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesBeta (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesResname
 30: [       OK ] SelectionCollectionDataTest.HandlesResname (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesCoordinateKeywords
@@ -110067,7 +110136,7 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionKeywords
 30: [       OK ] SelectionCollectionDataTest.HandlesPositionKeywords (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesDistanceKeyword
-30: [       OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMinDistanceKeyword
 30: [       OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesWithinKeyword
@@ -110075,9 +110144,9 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword
 30: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (2 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPermuteModifier
-30: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPlusModifier
-30: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMergeModifier
 30: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndCharges
@@ -110093,41 +110162,41 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed
 30: [       OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections
-30: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed
 30: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositions
 30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositions (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers
-30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesWithinConstantPositions
-30: [       OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges
 30: [       OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesOverlappingRealRanges
 30: [       OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode
-30: [       OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesWildcardMatching
 30: [       OK ] SelectionCollectionDataTest.HandlesWildcardMatching (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesRegexMatching
-30: [       OK ] SelectionCollectionDataTest.HandlesRegexMatching (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesRegexMatching (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBasicBoolean
 30: [       OK ] SelectionCollectionDataTest.HandlesBasicBoolean (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters
 30: [       OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions
-30: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame
 30: [       OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords
-30: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods
 30: [       OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesKeywordOfPositions
-30: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic
-30: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesNumericComparisons
 30: [       OK ] SelectionCollectionDataTest.HandlesNumericComparisons (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesArithmeticExpressions
@@ -110139,34 +110208,34 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariables
 30: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariableInModifier
-30: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionInVariable
-30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables
 30: [       OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis
-30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables
 30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables
 30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesUnusedVariables
-30: [       OK ] SelectionCollectionDataTest.HandlesUnusedVariables (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesUnusedVariables (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups
 30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups
-30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2
 30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (0 ms)
-30: [----------] 66 tests from SelectionCollectionDataTest (25 ms total)
+30: [----------] 66 tests from SelectionCollectionDataTest (22 ms total)
 30: 
 30: [----------] 17 tests from SelectionOptionTest
 30: [ RUN      ] SelectionOptionTest.ParsesSimpleSelection
 30: [       OK ] SelectionOptionTest.ParsesSimpleSelection (0 ms)
 30: [ RUN      ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired
-30: [       OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (0 ms)
+30: [       OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (1 ms)
 30: [ RUN      ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired
-30: [       OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (1 ms)
+30: [       OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (0 ms)
 30: [ RUN      ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired
 30: [       OK ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired (0 ms)
 30: [ RUN      ] SelectionOptionTest.ChecksEmptySelections
@@ -110180,7 +110249,7 @@
 30: [ RUN      ] SelectionOptionTest.HandlesDefaultSelectionText
 30: [       OK ] SelectionOptionTest.HandlesDefaultSelectionText (0 ms)
 30: [ RUN      ] SelectionOptionTest.HandlesAdjuster
-30: [       OK ] SelectionOptionTest.HandlesAdjuster (0 ms)
+30: [       OK ] SelectionOptionTest.HandlesAdjuster (1 ms)
 30: [ RUN      ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster
 30: [       OK ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster (0 ms)
 30: [ RUN      ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster
@@ -110199,13 +110268,13 @@
 30: 
 30: [----------] 9 tests from SelectionFileOptionTest
 30: [ RUN      ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile
-30: [       OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (0 ms)
+30: [       OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (1 ms)
 30: [ RUN      ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions
 30: [       OK ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile
 30: [       OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.HandlesRequiredOptionFromFile
-30: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (1 ms)
+30: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet
 30: [       OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile
@@ -110215,22 +110284,22 @@
 30: [ RUN      ] SelectionFileOptionTest.GivesErrorWithNonExistentFile
 30: [       OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.GivesErrorWithMultipleFiles
-30: [       OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (0 ms)
-30: [----------] 9 tests from SelectionFileOptionTest (1 ms total)
+30: [       OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (1 ms)
+30: [----------] 9 tests from SelectionFileOptionTest (2 ms total)
 30: 
 30: [----------] Global test environment tear-down
-30: [==========] 192 tests from 11 test cases ran. (126 ms total)
+30: [==========] 192 tests from 11 test cases ran. (83 ms total)
 30: [  PASSED  ] 192 tests.
-30/30 Test #30: SelectionUnitTests ...............   Passed    0.16 sec
+30/30 Test #30: SelectionUnitTests ...............   Passed    0.10 sec
 
 100% tests passed, 0 tests failed out of 30
 
 Label Time Summary:
-GTest       =   1.58 sec*proc (30 tests)
-MpiTest     =   0.13 sec*proc (3 tests)
-UnitTest    =   1.58 sec*proc (30 tests)
+GTest       =   1.11 sec*proc (30 tests)
+MpiTest     =   0.24 sec*proc (3 tests)
+UnitTest    =   1.11 sec*proc (30 tests)
 
-Total Test time (real) =   1.61 sec
+Total Test time (real) =   1.13 sec
 touch build-mpich
 dh_testdir
 /usr/bin/make -j12 -C build/openmpi
@@ -110242,122 +110311,122 @@
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 /usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
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-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/programs /build/reproducible-path/gromacs-2020.6/build/openmpi/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 Scanning dependencies of target release-version-info
 Scanning dependencies of target lmfit_objlib
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-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/openmpi/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/openmpi/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+Scanning dependencies of target scanner
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
-Scanning dependencies of target scanner
-Scanning dependencies of target thread_mpi
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-Scanning dependencies of target linearalgebra
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
-Scanning dependencies of target mdrun_objlib
+Scanning dependencies of target thread_mpi
+Scanning dependencies of target tng_io_obj
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
+Scanning dependencies of target linearalgebra
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
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-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp
+[  0%] Built target release-version-info
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
-Scanning dependencies of target tng_io_obj
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-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
 Scanning dependencies of target modularsimulator
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
-[  0%] Built target release-version-info
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[  1%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[  1%] Built target lmfit_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c
+[  1%] Built target thread_mpi
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/programs /build/reproducible-path/gromacs-2020.6/build/openmpi/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
+Scanning dependencies of target mdrun_objlib
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/rle.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[  1%] Built target lmfit_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[  2%] Built target mdrun_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[  2%] Built target mdrun_objlib
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 [  2%] Built target linearalgebra
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 [  2%] Built target scanner
@@ -110765,12 +110834,12 @@
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp
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 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp: In function 'void __static_initialization_and_destruction_0(int, int)':
 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp:103:16: warning: ignoring return value of 'char* getenv(const char*)' declared with attribute 'warn_unused_result' [-Wunused-result]
   103 |         (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA);
       |          ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/membed.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp
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@@ -110825,12 +110894,12 @@
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp
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 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function 'void __static_initialization_and_destruction_0(int, int)':
 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of 'char* getenv(const char*)' declared with attribute 'warn_unused_result' [-Wunused-result]
   104 |         (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA);
       |          ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
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@@ -110989,127 +111058,127 @@
 /usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
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-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
-Scanning dependencies of target release-version-info
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-Scanning dependencies of target linearalgebra
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+Scanning dependencies of target release-version-info
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-cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
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-Scanning dependencies of target scanner
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
+Scanning dependencies of target scanner
 Scanning dependencies of target thread_mpi
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
 Scanning dependencies of target mdrun_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
+Scanning dependencies of target linearalgebra
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
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-Scanning dependencies of target tng_io_obj
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
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+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+Scanning dependencies of target tng_io_obj
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 /usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
-[  0%] Built target release-version-info
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 Scanning dependencies of target modularsimulator
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
+[  0%] Built target release-version-info
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+[  1%] Built target thread_mpi
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+[  1%] Built target lmfit_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c
-[  1%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+[  2%] Built target mdrun_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/rle.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
-[  1%] Built target lmfit_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
-[  2%] Built target mdrun_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-[  2%] Built target linearalgebra
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-[  5%] Built target tng_io_obj
+[  2%] Built target linearalgebra
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-[  8%] Built target modularsimulator
+[  5%] Built target modularsimulator
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+[  8%] Built target tng_io_obj
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/VersionInfo.cmake -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/reproducible-path/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake
@@ -111573,12 +111642,12 @@
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp
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 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function 'void __static_initialization_and_destruction_0(int, int)':
 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of 'char* getenv(const char*)' declared with attribute 'warn_unused_result' [-Wunused-result]
   104 |         (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA);
       |          ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -isystem /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/lmfit -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp
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+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+[  3%] Built target tng_io_obj
+[  3%] Built target linearalgebra
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'.
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest /build/reproducible-path/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color=
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 /usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
 Scanning dependencies of target gtest
@@ -111798,16 +111874,9 @@
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 /usr/bin/make  -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build
-[  0%] Built target scanner
-[  0%] Built target lmfit_objlib
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[  3%] Built target thread_mpi
-[  3%] Built target tng_io_obj
-[  3%] Built target linearalgebra
 [  5%] Built target modularsimulator
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -I/build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=c++14 -o CMakeFiles/gtest.dir/src/gtest-all.cc.o -c /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/src/gtest-all.cc
-[  5%] Built target release-version-info
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color=
@@ -111873,113 +111942,150 @@
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 [ 76%] Built target testutils
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-/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend
-/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend
-/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/DependInfo.cmake --color=
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+/usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target testutils-mpi-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color=
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-/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color=
-Scanning dependencies of target testutils-mpi-test
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-Scanning dependencies of target utility-mpi-test
 /usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build
-Scanning dependencies of target onlinehelp-test-shared
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/mpitest.cpp
+Scanning dependencies of target selection-test
+Scanning dependencies of target testutils-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build
-Scanning dependencies of target domdec-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
-/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend
+Scanning dependencies of target utility-mpi-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build
+Scanning dependencies of target utility-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-Scanning dependencies of target testutils-test
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp
-Scanning dependencies of target selection-test
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 /usr/bin/make  -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 Scanning dependencies of target applied_forces-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/interactivetest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
+/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build
+Scanning dependencies of target onlinehelp-test-shared
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 /usr/bin/make  -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build
-Scanning dependencies of target fft-test
-Scanning dependencies of target gpu_utils-test
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp
+Scanning dependencies of target mdlib-test
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../lib/libgtest.a 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[ 77%] Built target testutils-mpi-test
+/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp
-/usr/bin/make  -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1
+Scanning dependencies of target domdec-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[ 77%] Built target utility-mpi-test
+/usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp
-/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp
 Scanning dependencies of target ewald-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp
 /usr/bin/make  -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build
-Scanning dependencies of target utility-test
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1
+/usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o
+/usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-/usr/bin/make  -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build
-Scanning dependencies of target mdlib-test
+[ 77%] Built target onlinehelp-test-shared
+/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target fft-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-/usr/bin/make  -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[ 77%] Built target domdec-test
+/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color=
+Scanning dependencies of target gpu_utils-test
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+/usr/bin/make  -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../lib/libgtest.a 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 76%] Built target utility-mpi-test
+[ 77%] Built target fft-test
 /usr/bin/make  -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color=
@@ -111988,24 +112094,25 @@
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 77%] Built target testutils-mpi-test
+[ 77%] Built target testutils-test
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp
 Scanning dependencies of target math-test
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 /usr/bin/make  -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 77%] Built target onlinehelp-test-shared
+[ 77%] Built target applied_forces-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color=
@@ -112014,44 +112121,44 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 77%] Built target fft-test
+[ 77%] Built target hardware-test
 /usr/bin/make  -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp
 Scanning dependencies of target mdspan-test
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 /usr/bin/make  -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/accessor_policy.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1
 /usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp
 /usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 [ 78%] Built target mdrunutility-test-shared
 /usr/bin/make  -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1
 Scanning dependencies of target onlinehelp-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpformat.cpp
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 78%] Built target domdec-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp
 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color=
@@ -112060,8 +112167,14 @@
 /usr/bin/make  -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 78%] Built target hardware-test
+[ 79%] Built target selection-test
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color=
@@ -112070,72 +112183,70 @@
 /usr/bin/make  -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pbcutil/tests/pbcenums.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/path.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp
-[ 78%] Built target pbcutil-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp
+[ 79%] Built target pbcutil-test
 /usr/bin/make  -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target random-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 /usr/bin/make  -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test  ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 79%] Built target onlinehelp-test
+[ 80%] Built target onlinehelp-test
 /usr/bin/make  -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp
 Scanning dependencies of target restraintpotential-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 79%] Built target testutils-test
+[ 80%] Built target restraintpotential-test
 /usr/bin/make  -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1
 Scanning dependencies of target table-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-[ 79%] Built target applied_forces-test
+[ 80%] Built target gpu_utils-test
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color=
@@ -112144,49 +112255,58 @@
 /usr/bin/make  -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/functions.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/seed.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 79%] Built target restraintpotential-test
+[ 81%] Built target ewald-test
 /usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/CMakeFiles/topology-test.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp
 Scanning dependencies of target topology-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 /usr/bin/make  -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 79%] Built target gpu_utils-test
+[ 82%] Built target taskassignment-test
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color=
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp
 Scanning dependencies of target pull-test
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 /usr/bin/make  -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/seed.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 80%] Built target taskassignment-test
+[ 82%] Built target mdspan-test
 /usr/bin/make  -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color=
@@ -112195,20 +112315,15 @@
 /usr/bin/make  -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/ewald/tests/pmetestcommon.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 81%] Built target pull-test
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/functions.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 82%] Built target topology-test
+[ 83%] Built target pull-test
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color=
 Scanning dependencies of target simd-test
@@ -112216,20 +112331,17 @@
 /usr/bin/make  -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 82%] Built target mdspan-test
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 /usr/bin/make  -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color=
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 82%] Built target table-test
+[ 87%] Built target utility-test
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color=
@@ -112255,11 +112366,16 @@
 /usr/bin/make  -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 83%] Built target ewald-test
+[ 87%] Built target table-test
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color=
@@ -112268,9 +112384,9 @@
 /usr/bin/make  -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp
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 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 84%] Built target awh-test
+[ 88%] Built target random-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake --color=
@@ -112279,22 +112395,14 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 84%] Built target mdrunutility-mpi-test
+[ 90%] Built target mdlib-test
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color=
@@ -112303,116 +112411,77 @@
 /usr/bin/make  -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[ 90%] Built target mdrunutility-mpi-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymap.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[ 91%] Built target options-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 85%] Built target random-test
+[ 92%] Built target awh-test
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 85%] Built target mdrunutility-test
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/defaultinitializationallocator.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/options/tests/treesupport.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/enumerationhelpers.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp
-[ 86%] Built target selection-test
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+[ 92%] Built target mdrunutility-test
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/fileio-test.dir/confio.cpp.o CMakeFiles/fileio-test.dir/filemd5.cpp.o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o CMakeFiles/fileio-test.dir/readinp.cpp.o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o CMakeFiles/fileio-test.dir/tngio.cpp.o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fileio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/tests/updategroupscog.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 87%] Built target fileio-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/path.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 88%] Built target options-test
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 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/simd4_math.cpp
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-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 89%] Built target compat-test
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a 
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/fileio-test.dir/confio.cpp.o CMakeFiles/fileio-test.dir/filemd5.cpp.o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o CMakeFiles/fileio-test.dir/readinp.cpp.o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o CMakeFiles/fileio-test.dir/tngio.cpp.o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fileio-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_util.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 91%] Built target math-test
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[ 93%] Built target fileio-test
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/reproducible-path/gromacs-2020.6/build/openmpi/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/reproducible-path/gromacs-2020.6/src/external -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/reproducible-path/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/testutils/unittest_main.cpp
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 93%] Built target mdlib-test
+[ 94%] Built target compat-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 94%] Built target commandline-test
+[ 95%] Built target commandline-test
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1
 /usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[ 96%] Built target simd-test
-cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1
-/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
+[ 97%] Built target simd-test
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1
+/usr/bin/mpicxx.openmpi -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG   -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test  ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/aarch64-linux-gnu/libz.so /usr/lib/aarch64-linux-gnu/libhwloc.so -lrt /usr/lib/aarch64-linux-gnu/libfftw3f.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so -lm /usr/lib/gcc/aarch64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a 
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
-[100%] Built target utility-test
+[100%] Built target math-test
 /usr/bin/make  -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/CMakeFiles/tests.dir/DependInfo.cmake --color=
@@ -112453,9 +112522,9 @@
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSimpleSession
 1: [       OK ] InteractiveTestHelperTest.ChecksSimpleSession (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline
-1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (1 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput
-1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (0 ms)
+1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (1 ms)
 1: [ RUN      ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput
 1: [       OK ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsIncorrectOutput
@@ -112463,14 +112532,14 @@
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsMissingOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingFinalOutput
-1: [       OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (1 ms)
+1: [       OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraOutput
 1: [       OK ] InteractiveTestHelperTest.DetectsExtraOutput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsMissingInput
 1: [       OK ] InteractiveTestHelperTest.DetectsMissingInput (0 ms)
 1: [ RUN      ] InteractiveTestHelperTest.DetectsExtraInput
-1: [       OK ] InteractiveTestHelperTest.DetectsExtraInput (1 ms)
-1: [----------] 10 tests from InteractiveTestHelperTest (4 ms total)
+1: [       OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms)
+1: [----------] 10 tests from InteractiveTestHelperTest (1 ms total)
 1: 
 1: [----------] 34 tests from ReferenceDataTest
 1: [ RUN      ] ReferenceDataTest.HandlesSimpleData
@@ -112480,11 +112549,11 @@
 1: [ RUN      ] ReferenceDataTest.HandlesPresenceChecks
 1: [       OK ] ReferenceDataTest.HandlesPresenceChecks (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesStringBlockData
-1: [       OK ] ReferenceDataTest.HandlesStringBlockData (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesStringBlockData (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesVectorData
 1: [       OK ] ReferenceDataTest.HandlesVectorData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceData
-1: [       OK ] ReferenceDataTest.HandlesSequenceData (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesSequenceData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceOfCustomData
 1: [       OK ] ReferenceDataTest.HandlesSequenceOfCustomData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesIncorrectData
@@ -112506,17 +112575,17 @@
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTreeExtraKey
 1: [       OK ] ReferenceDataTest.HandlesKeyValueTreeExtraKey (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesKeyValueTreeMissingKey
-1: [       OK ] ReferenceDataTest.HandlesKeyValueTreeMissingKey (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesKeyValueTreeMissingKey (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesAnysWithIncorrectValue
 1: [       OK ] ReferenceDataTest.HandlesAnysWithIncorrectValue (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesAnysWithIncorrectType
 1: [       OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMissingReferenceDataFile
-1: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms)
+1: [       OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (1 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesSpecialCharactersInStrings
 1: [       OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace
-1: [       OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesEmptyStrings
 1: [       OK ] ReferenceDataTest.HandlesEmptyStrings (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock
@@ -112524,7 +112593,7 @@
 1: [ RUN      ] ReferenceDataTest.HandlesSequenceItemIndices
 1: [       OK ] ReferenceDataTest.HandlesSequenceItemIndices (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData
-1: [       OK ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData (1 ms)
+1: [       OK ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMultipleNullIds
 1: [       OK ] ReferenceDataTest.HandlesMultipleNullIds (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds
@@ -112540,8 +112609,8 @@
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges
 1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms)
 1: [ RUN      ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries
-1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (1 ms)
-1: [----------] 34 tests from ReferenceDataTest (7 ms total)
+1: [       OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms)
+1: [----------] 34 tests from ReferenceDataTest (3 ms total)
 1: 
 1: [----------] 7 tests from FloatingPointDifferenceTest
 1: [ RUN      ] FloatingPointDifferenceTest.HandlesEqualValues
@@ -112580,12 +112649,12 @@
 1: [       OK ] XvgTests.CheckExtra (0 ms)
 1: [ RUN      ] XvgTests.ReadIncorrect
 1: [       OK ] XvgTests.ReadIncorrect (0 ms)
-1: [----------] 4 tests from XvgTests (1 ms total)
+1: [----------] 4 tests from XvgTests (0 ms total)
 1: 
 1: [----------] Global test environment tear-down
-1: [==========] 59 tests from 5 test cases ran. (12 ms total)
+1: [==========] 59 tests from 5 test cases ran. (4 ms total)
 1: [  PASSED  ] 59 tests.
- 1/30 Test  #1: TestUtilsUnitTests ...............   Passed    0.21 sec
+ 1/30 Test  #1: TestUtilsUnitTests ...............   Passed    0.47 sec
 test 2
       Start  2: TestUtilsMpiUnitTests
 
@@ -112595,13 +112664,13 @@
 2: [----------] Global test environment set-up.
 2: [----------] 1 test from MpiSelfTest
 2: [ RUN      ] MpiSelfTest.Runs
-2: [       OK ] MpiSelfTest.Runs (0 ms)
-2: [----------] 1 test from MpiSelfTest (0 ms total)
+2: [       OK ] MpiSelfTest.Runs (3 ms)
+2: [----------] 1 test from MpiSelfTest (3 ms total)
 2: 
 2: [----------] Global test environment tear-down
-2: [==========] 1 test from 1 test case ran. (0 ms total)
+2: [==========] 1 test from 1 test case ran. (3 ms total)
 2: [  PASSED  ] 1 test.
- 2/30 Test  #2: TestUtilsMpiUnitTests ............   Passed    0.20 sec
+ 2/30 Test  #2: TestUtilsMpiUnitTests ............   Passed    0.69 sec
 test 3
       Start  3: UtilityUnitTests
 
@@ -112680,12 +112749,12 @@
 3: [ RUN      ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment
 3: [       OK ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment (0 ms)
 3: [ RUN      ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment
-3: [       OK ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment (1 ms)
+3: [       OK ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment (0 ms)
 3: [ RUN      ] AllocatorTest/5.Move
 3: [       OK ] AllocatorTest/5.Move (0 ms)
 3: [ RUN      ] AllocatorTest/5.StatelessAllocatorUsesNoMemory
 3: [       OK ] AllocatorTest/5.StatelessAllocatorUsesNoMemory (0 ms)
-3: [----------] 5 tests from AllocatorTest/5 (1 ms total)
+3: [----------] 5 tests from AllocatorTest/5 (0 ms total)
 3: 
 3: [----------] 1 test from AllocatorUntypedTest
 3: [ RUN      ] AllocatorUntypedTest.Comparison
@@ -112952,7 +113021,7 @@
 3: [       OK ] ArrayRefTest/11.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/11 (1 ms total)
+3: [----------] 9 tests from ArrayRefTest/11 (0 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/12, where TypeParam = gmx::ArrayRef<int const>
 3: [ RUN      ] ArrayRefTest/12.MakeWithAssignmentWorks
@@ -112994,7 +113063,7 @@
 3: [       OK ] ArrayRefTest/13.ConstructFromNonConstVectorWorks (0 ms)
 3: [ RUN      ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks
 3: [       OK ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms)
-3: [----------] 9 tests from ArrayRefTest/13 (0 ms total)
+3: [----------] 9 tests from ArrayRefTest/13 (1 ms total)
 3: 
 3: [----------] 9 tests from ArrayRefTest/14, where TypeParam = gmx::ArrayRef<long const>
 3: [ RUN      ] ArrayRefTest/14.MakeWithAssignmentWorks
@@ -113159,14 +113228,14 @@
 3: [ RUN      ] FixedCapacityVectorTest.EmplaceBackWorks
 3: [       OK ] FixedCapacityVectorTest.EmplaceBackWorks (0 ms)
 3: [ RUN      ] FixedCapacityVectorTest.AtThrows
-3: [       OK ] FixedCapacityVectorTest.AtThrows (1 ms)
+3: [       OK ] FixedCapacityVectorTest.AtThrows (0 ms)
 3: [ RUN      ] FixedCapacityVectorTest.IteratorWorks
 3: [       OK ] FixedCapacityVectorTest.IteratorWorks (0 ms)
 3: [ RUN      ] FixedCapacityVectorTest.ReverseIteratorWorks
 3: [       OK ] FixedCapacityVectorTest.ReverseIteratorWorks (0 ms)
 3: [ RUN      ] FixedCapacityVectorTest.ZeroCapacityWorks
 3: [       OK ] FixedCapacityVectorTest.ZeroCapacityWorks (0 ms)
-3: [----------] 9 tests from FixedCapacityVectorTest (1 ms total)
+3: [----------] 9 tests from FixedCapacityVectorTest (0 ms total)
 3: 
 3: [----------] 5 tests from InMemorySerializerTest
 3: [ RUN      ] InMemorySerializerTest.Roundtrip
@@ -113204,7 +113273,7 @@
 3: [ RUN      ] TreeValueTransformTest.ObjectFromMultipleStrings
 3: [       OK ] TreeValueTransformTest.ObjectFromMultipleStrings (0 ms)
 3: [ RUN      ] TreeValueTransformTest.ScopedTransformRules
-3: [       OK ] TreeValueTransformTest.ScopedTransformRules (0 ms)
+3: [       OK ] TreeValueTransformTest.ScopedTransformRules (1 ms)
 3: [----------] 6 tests from TreeValueTransformTest (1 ms total)
 3: 
 3: [----------] 1 test from TreeValueTransformErrorTest
@@ -113224,10 +113293,10 @@
 3: [ RUN      ] LoggerTest.LogsToMultipleStreams
 3: [       OK ] LoggerTest.LogsToMultipleStreams (0 ms)
 3: [ RUN      ] LoggerTest.LogsToMultipleFiles
-3: [       OK ] LoggerTest.LogsToMultipleFiles (0 ms)
+3: [       OK ] LoggerTest.LogsToMultipleFiles (4 ms)
 3: [ RUN      ] LoggerTest.LogsToStreamAndFile
 3: [       OK ] LoggerTest.LogsToStreamAndFile (0 ms)
-3: [----------] 7 tests from LoggerTest (1 ms total)
+3: [----------] 7 tests from LoggerTest (4 ms total)
 3: 
 3: [----------] 4 tests from MutexBasicTest
 3: [ RUN      ] MutexBasicTest.CanBeMade
@@ -113242,12 +113311,12 @@
 3: 
 3: [----------] 3 tests from MutexTaskTest
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithLock
-3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (1 ms)
+3: [       OK ] MutexTaskTest.MutualExclusionWorksWithLock (16 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread
-3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (0 ms)
+3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (16 ms)
 3: [ RUN      ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread
 3: [       OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms)
-3: [----------] 3 tests from MutexTaskTest (1 ms total)
+3: [----------] 3 tests from MutexTaskTest (32 ms total)
 3: 
 3: [----------] 2 tests from PathTest
 3: [ RUN      ] PathTest.StripSourcePrefixWorks
@@ -113277,7 +113346,7 @@
 3: [ RUN      ] StringUtilityTest.SplitDelimitedString
 3: [       OK ] StringUtilityTest.SplitDelimitedString (0 ms)
 3: [ RUN      ] StringUtilityTest.SplitAndTrimDelimitedString
-3: [       OK ] StringUtilityTest.SplitAndTrimDelimitedString (0 ms)
+3: [       OK ] StringUtilityTest.SplitAndTrimDelimitedString (1 ms)
 3: [ RUN      ] StringUtilityTest.CanCompareCaseInsensitive
 3: [       OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms)
 3: [ RUN      ] StringUtilityTest.CanCompareCaseInsensitiveInLength
@@ -113333,7 +113402,7 @@
 3: [ RUN      ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks
 3: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks (0 ms)
 3: [ RUN      ] TextLineWrapperTest.HandlesIndent
-3: [       OK ] TextLineWrapperTest.HandlesIndent (1 ms)
+3: [       OK ] TextLineWrapperTest.HandlesIndent (0 ms)
 3: [ RUN      ] TextLineWrapperTest.HandlesIndentWithEmptyLines
 3: [       OK ] TextLineWrapperTest.HandlesIndentWithEmptyLines (0 ms)
 3: [ RUN      ] TextLineWrapperTest.HandlesHangingIndent
@@ -113342,7 +113411,7 @@
 3: [       OK ] TextLineWrapperTest.HandlesContinuationCharacter (0 ms)
 3: [ RUN      ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace
 3: [       OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms)
-3: [----------] 10 tests from TextLineWrapperTest (1 ms total)
+3: [----------] 10 tests from TextLineWrapperTest (0 ms total)
 3: 
 3: [----------] 6 tests from TextWriterTest
 3: [ RUN      ] TextWriterTest.WritesLines
@@ -113435,24 +113504,24 @@
 3: 
 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (1 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (15 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (12 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2
-3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms)
+3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (16 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms)
 3: [ RUN      ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2
 3: [       OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms)
-3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total)
+3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (91 ms total)
 3: 
 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0
@@ -113469,12 +113538,12 @@
 3: [       OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 (0 ms)
 3: [ RUN      ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6
 3: [       OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 (0 ms)
-3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (1 ms total)
+3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total)
 3: 
 3: [----------] Global test environment tear-down
-3: [==========] 347 tests from 56 test cases ran. (11 ms total)
+3: [==========] 347 tests from 56 test cases ran. (130 ms total)
 3: [  PASSED  ] 347 tests.
- 3/30 Test  #3: UtilityUnitTests .................   Passed    0.21 sec
+ 3/30 Test  #3: UtilityUnitTests .................   Passed    0.68 sec
 test 4
       Start  4: UtilityMpiUnitTests
 
@@ -113484,15 +113553,15 @@
 4: [----------] Global test environment set-up.
 4: [----------] 2 tests from PhysicalNodeCommunicatorTest
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanConstruct
-4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanConstruct (11 ms)
 4: [ RUN      ] PhysicalNodeCommunicatorTest.CanCallBarrier
-4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms)
-4: [----------] 2 tests from PhysicalNodeCommunicatorTest (1 ms total)
+4: [       OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (1 ms)
+4: [----------] 2 tests from PhysicalNodeCommunicatorTest (12 ms total)
 4: 
 4: [----------] Global test environment tear-down
-4: [==========] 2 tests from 1 test case ran. (1 ms total)
+4: [==========] 2 tests from 1 test case ran. (12 ms total)
 4: [  PASSED  ] 2 tests.
- 4/30 Test  #4: UtilityMpiUnitTests ..............   Passed    0.21 sec
+ 4/30 Test  #4: UtilityMpiUnitTests ..............   Passed    0.72 sec
 test 5
       Start  5: MdlibUnitTest
 
@@ -113507,21 +113576,21 @@
 5: 
 5: [----------] 2 tests from PrEbinTest
 5: [ RUN      ] PrEbinTest.HandlesAverages
-5: [       OK ] PrEbinTest.HandlesAverages (1 ms)
+5: [       OK ] PrEbinTest.HandlesAverages (0 ms)
 5: [ RUN      ] PrEbinTest.HandlesEmptyAverages
 5: [       OK ] PrEbinTest.HandlesEmptyAverages (0 ms)
-5: [----------] 2 tests from PrEbinTest (1 ms total)
+5: [----------] 2 tests from PrEbinTest (0 ms total)
 5: 
 5: [----------] 4 tests from ShakeTest
 5: [ RUN      ] ShakeTest.ConstrainsOneBond
-5: [       OK ] ShakeTest.ConstrainsOneBond (0 ms)
+5: [       OK ] ShakeTest.ConstrainsOneBond (1 ms)
 5: [ RUN      ] ShakeTest.ConstrainsTwoDisjointBonds
 5: [       OK ] ShakeTest.ConstrainsTwoDisjointBonds (0 ms)
 5: [ RUN      ] ShakeTest.ConstrainsTwoBondsWithACommonAtom
 5: [       OK ] ShakeTest.ConstrainsTwoBondsWithACommonAtom (0 ms)
 5: [ RUN      ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms
 5: [       OK ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms (0 ms)
-5: [----------] 4 tests from ShakeTest (0 ms total)
+5: [----------] 4 tests from ShakeTest (1 ms total)
 5: 
 5: [----------] 1 test from NullSignalTest
 5: [ RUN      ] NullSignalTest.NullSignallerWorks
@@ -113559,23 +113628,23 @@
 5: [ RUN      ] UpdateGroups.waterFourSite
 5: [       OK ] UpdateGroups.waterFourSite (0 ms)
 5: [ RUN      ] UpdateGroups.fourAtomsWithSettle
-5: [       OK ] UpdateGroups.fourAtomsWithSettle (1 ms)
+5: [       OK ] UpdateGroups.fourAtomsWithSettle (0 ms)
 5: [ RUN      ] UpdateGroups.waterFlexAngle
 5: [       OK ] UpdateGroups.waterFlexAngle (0 ms)
 5: [ RUN      ] UpdateGroups.twoMoltypes
 5: [       OK ] UpdateGroups.twoMoltypes (0 ms)
-5: [----------] 9 tests from UpdateGroups (1 ms total)
+5: [----------] 9 tests from UpdateGroups (0 ms total)
 5: 
 5: [----------] 1 test from UpdateGroupsCog
 5: [ RUN      ] UpdateGroupsCog.ComputesCogs
-5: [       OK ] UpdateGroupsCog.ComputesCogs (1 ms)
-5: [----------] 1 test from UpdateGroupsCog (1 ms total)
+5: [       OK ] UpdateGroupsCog.ComputesCogs (0 ms)
+5: [----------] 1 test from UpdateGroupsCog (0 ms total)
 5: 
 5: [----------] 84 tests from WithParameters/ConstraintsTest
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/0
 5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/1
-5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (1 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/2
 5: [       OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.SingleConstraint/3
@@ -113649,7 +113718,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14
-5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 (0 ms)
+5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 (1 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15
 5: [       OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/0
@@ -113687,7 +113756,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/16
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/17
-5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/18
 5: [       OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.FourSequentialConstraints/19
@@ -113727,7 +113796,7 @@
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/16
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/17
-5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 (1 ms)
+5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/18
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/19
@@ -113740,42 +113809,42 @@
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms)
 5: [ RUN      ] WithParameters/ConstraintsTest.TriangleOfConstraints/23
 5: [       OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms)
-5: [----------] 84 tests from WithParameters/ConstraintsTest (5 ms total)
+5: [----------] 84 tests from WithParameters/ConstraintsTest (7 ms total)
 5: 
 5: [----------] 11 tests from WithParameters/EnergyOutputTest
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/0
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/1
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as single precision energy file
 5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/2
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (3 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/3
-5: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (1 ms)
+5: [       OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (0 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/4
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (8 ms)
+5: 
Reading energy frame      0 time   10.100         
Reading energy frame      1 time   27.500         
Reading energy frame      2 time   44.900         
Reading energy frame      3 time   62.300         
Reading energy frame      4 time   79.700         
Reading energy frame      5 time   97.100         
Reading energy frame      6 time  114.500         
Reading energy frame      7 time  131.900         
Reading energy frame      8 time  149.300         
Reading energy frame      9 time  166.700         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (20 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/5
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/6
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (5 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/7
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/8
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (2 ms)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/9
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file
 5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (1 ms)
 5: [ RUN      ] WithParameters/EnergyOutputTest.CheckOutput/10
 5: Opened /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file
-5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (1 ms)
-5: [----------] 11 tests from WithParameters/EnergyOutputTest (31 ms total)
+5: 
Reading energy frame      0 time   10.100         [       OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (10 ms)
+5: [----------] 11 tests from WithParameters/EnergyOutputTest (43 ms total)
 5: 
 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple
 5: [ RUN      ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0
@@ -113857,11 +113926,11 @@
 5: [       OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 (0 ms)
 5: [ RUN      ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13
 5: [       OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 (0 ms)
-5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression (1 ms total)
+5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression (0 ms total)
 5: 
 5: [----------] 16 tests from WithParameters/LeapFrogTest
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/0
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (0 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/1
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/1 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/2
@@ -113871,7 +113940,7 @@
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/4
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/5
-5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (2 ms)
+5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/6
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (4 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/7
@@ -113892,7 +113961,7 @@
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (1 ms)
 5: [ RUN      ] WithParameters/LeapFrogTest.SimpleIntegration/15
 5: [       OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (1 ms)
-5: [----------] 16 tests from WithParameters/LeapFrogTest (15 ms total)
+5: [----------] 16 tests from WithParameters/LeapFrogTest (24 ms total)
 5: 
 5: [----------] 13 tests from WithParameters/SettleTest
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/0
@@ -113906,27 +113975,27 @@
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/4
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/4 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/5
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/6
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/7
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (0 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/8
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/9
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (1 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/10
 5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (0 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/11
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (1 ms)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (5 ms)
 5: [ RUN      ] WithParameters/SettleTest.SatisfiesConstraints/12
-5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (1 ms)
-5: [----------] 13 tests from WithParameters/SettleTest (5 ms total)
+5: [       OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (0 ms)
+5: [----------] 13 tests from WithParameters/SettleTest (7 ms total)
 5: 
 5: [----------] Global test environment tear-down
-5: [==========] 187 tests from 13 test cases ran. (61 ms total)
+5: [==========] 187 tests from 13 test cases ran. (83 ms total)
 5: [  PASSED  ] 187 tests.
- 5/30 Test  #5: MdlibUnitTest ....................   Passed    0.26 sec
+ 5/30 Test  #5: MdlibUnitTest ....................   Passed    0.41 sec
 test 6
       Start  6: AppliedForcesUnitTest
 
@@ -113938,8 +114007,8 @@
 6: [ RUN      ] DensityFittingTest.ForceProviderLackingInputThrows
 6: [       OK ] DensityFittingTest.ForceProviderLackingInputThrows (1 ms)
 6: [ RUN      ] DensityFittingTest.SingleAtom
-6: [       OK ] DensityFittingTest.SingleAtom (1 ms)
-6: [----------] 2 tests from DensityFittingTest (2 ms total)
+6: [       OK ] DensityFittingTest.SingleAtom (0 ms)
+6: [----------] 2 tests from DensityFittingTest (1 ms total)
 6: 
 6: [----------] 8 tests from DensityFittingOptionsTest
 6: [ RUN      ] DensityFittingOptionsTest.DefaultParameters
@@ -113955,10 +114024,10 @@
 6: [ RUN      ] DensityFittingOptionsTest.InternalsToKvt
 6: [       OK ] DensityFittingOptionsTest.InternalsToKvt (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.KvtToInternal
-6: [       OK ] DensityFittingOptionsTest.KvtToInternal (1 ms)
+6: [       OK ] DensityFittingOptionsTest.KvtToInternal (0 ms)
 6: [ RUN      ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent
 6: [       OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (0 ms)
-6: [----------] 8 tests from DensityFittingOptionsTest (1 ms total)
+6: [----------] 8 tests from DensityFittingOptionsTest (0 ms total)
 6: 
 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest
 6: [ RUN      ] DensityFittingAmplitudeLookupTest.Unity
@@ -113987,9 +114056,9 @@
 6: [----------] 3 tests from ElectricFieldTest (0 ms total)
 6: 
 6: [----------] Global test environment tear-down
-6: [==========] 20 tests from 4 test cases ran. (3 ms total)
+6: [==========] 20 tests from 4 test cases ran. (1 ms total)
 6: [  PASSED  ] 20 tests.
- 6/30 Test  #6: AppliedForcesUnitTest ............   Passed    0.19 sec
+ 6/30 Test  #6: AppliedForcesUnitTest ............   Passed    0.56 sec
 test 7
       Start  7: CommandLineUnitTests
 
@@ -114003,12 +114072,12 @@
 7: [ RUN      ] CommandLineHelpModuleTest.PrintsHelpOnTopic
 7: [       OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms)
 7: [ RUN      ] CommandLineHelpModuleTest.ExportsHelp
-7: [       OK ] CommandLineHelpModuleTest.ExportsHelp (1 ms)
-7: [----------] 3 tests from CommandLineHelpModuleTest (2 ms total)
+7: [       OK ] CommandLineHelpModuleTest.ExportsHelp (0 ms)
+7: [----------] 3 tests from CommandLineHelpModuleTest (1 ms total)
 7: 
 7: [----------] 7 tests from CommandLineHelpWriterTest
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionTypes
-7: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (1 ms)
+7: [       OK ] CommandLineHelpWriterTest.HandlesOptionTypes (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables
 7: [       OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongFileOptions
@@ -114016,12 +114085,12 @@
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesLongOptions
 7: [       OK ] CommandLineHelpWriterTest.HandlesLongOptions (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesOptionGroups
-7: [       OK ] CommandLineHelpWriterTest.HandlesOptionGroups (1 ms)
+7: [       OK ] CommandLineHelpWriterTest.HandlesOptionGroups (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesHelpText
 7: [       OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms)
 7: [ RUN      ] CommandLineHelpWriterTest.HandlesKnownIssues
 7: [       OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms)
-7: [----------] 7 tests from CommandLineHelpWriterTest (2 ms total)
+7: [----------] 7 tests from CommandLineHelpWriterTest (1 ms total)
 7: 
 7: [----------] 6 tests from CommandLineModuleManagerTest
 7: [ RUN      ] CommandLineModuleManagerTest.RunsModule
@@ -114036,7 +114105,7 @@
 7: [       OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms)
 7: [ RUN      ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames
 7: [       OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms)
-7: [----------] 6 tests from CommandLineModuleManagerTest (1 ms total)
+7: [----------] 6 tests from CommandLineModuleManagerTest (0 ms total)
 7: 
 7: [----------] 13 tests from CommandLineParserTest
 7: [ RUN      ] CommandLineParserTest.HandlesSingleValues
@@ -114065,11 +114134,11 @@
 7: [       OK ] CommandLineParserTest.CanAllowPositionalArguments (0 ms)
 7: [ RUN      ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions
 7: [       OK ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions (0 ms)
-7: [----------] 13 tests from CommandLineParserTest (1 ms total)
+7: [----------] 13 tests from CommandLineParserTest (0 ms total)
 7: 
 7: [----------] 6 tests from CommandLineProgramContextTest
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath
-7: [       OK ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath (0 ms)
+7: [       OK ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath (1 ms)
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryWithRelativePath
 7: [       OK ] CommandLineProgramContextTest.FindsBinaryWithRelativePath (0 ms)
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryFromPath
@@ -114080,7 +114149,7 @@
 7: [       OK ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink (0 ms)
 7: [ RUN      ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink
 7: [       OK ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink (0 ms)
-7: [----------] 6 tests from CommandLineProgramContextTest (0 ms total)
+7: [----------] 6 tests from CommandLineProgramContextTest (1 ms total)
 7: 
 7: [----------] 3 tests from OutputNamesTest
 7: [ RUN      ] OutputNamesTest.CanBeSuffixed
@@ -114131,15 +114200,15 @@
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFile
 7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName
-7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (1 ms)
+7: [       OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms)
 7: [ RUN      ] ParseCommonArgsTest.CanKeepUnknownArgs
 7: [       OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms)
-7: [----------] 21 tests from ParseCommonArgsTest (2 ms total)
+7: [----------] 21 tests from ParseCommonArgsTest (0 ms total)
 7: 
 7: [----------] Global test environment tear-down
-7: [==========] 59 tests from 7 test cases ran. (8 ms total)
+7: [==========] 59 tests from 7 test cases ran. (3 ms total)
 7: [  PASSED  ] 59 tests.
- 7/30 Test  #7: CommandLineUnitTests .............   Passed    0.20 sec
+ 7/30 Test  #7: CommandLineUnitTests .............   Passed    0.54 sec
 test 8
       Start  8: DomDecTests
 
@@ -114172,9 +114241,9 @@
 8: [----------] 2 tests from LocalAtomSetManager (0 ms total)
 8: 
 8: [----------] Global test environment tear-down
-8: [==========] 9 tests from 2 test cases ran. (1 ms total)
+8: [==========] 9 tests from 2 test cases ran. (0 ms total)
 8: [  PASSED  ] 9 tests.
- 8/30 Test  #8: DomDecTests ......................   Passed    0.19 sec
+ 8/30 Test  #8: DomDecTests ......................   Passed    0.50 sec
 test 9
       Start  9: EwaldUnitTests
 
@@ -114184,75 +114253,75 @@
 9: [----------] Global test environment set-up.
 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (0 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (1 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (0 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3
-9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (3 ms)
+9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (1 ms)
 9: [ RUN      ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4
 9: [       OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms)
-9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (3 ms total)
+9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (2 ms total)
 9: 
 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (2 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (9 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (5 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (4 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (10 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (2 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (5 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21
 9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (1 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (1 ms)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (0 ms)
 9: [ RUN      ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23
-9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (2 ms)
-9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (36 ms total)
+9: [       OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (5 ms)
+9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (46 ms total)
 9: 
 9: [----------] 144 tests from SaneInput/PmeGatherTest
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/0
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/0 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/1
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/2
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/2 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/3
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/4
@@ -114260,19 +114329,19 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/5
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/6
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/7
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/8
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/9
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/10
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/11
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/12
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/13
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/14
@@ -114282,11 +114351,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/16
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/16 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/17
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/17 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/17 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/18
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/19
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/20
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/21
@@ -114294,7 +114363,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/22
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/23
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/23 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/23 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/24
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/24 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/25
@@ -114316,11 +114385,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/33
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/33 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/34
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (8 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/35
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/36
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/37
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/37 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/38
@@ -114328,7 +114397,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/39
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/39 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/40
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/40 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/40 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/41
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/42
@@ -114352,7 +114421,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/51
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/51 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/52
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/53
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/54
@@ -114360,11 +114429,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/55
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/55 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/56
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/57
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/57 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/58
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/59
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/60
@@ -114374,11 +114443,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/62
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/63
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/64
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/65
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/66
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/66 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/67
@@ -114386,13 +114455,13 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/68
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/69
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/70
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/70 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/71
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/72
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/73
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/73 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/74
@@ -114400,7 +114469,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/75
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/75 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/76
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/77
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/77 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/78
@@ -114412,9 +114481,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/81
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/82
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/83
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/83 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/83 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/84
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/85
@@ -114424,7 +114493,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/87
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/87 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/88
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/89
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/90
@@ -114432,13 +114501,13 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/91
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/91 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/92
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/92 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/92 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/93
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/93 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/94
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/94 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/95
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/96
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/96 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/97
@@ -114450,9 +114519,9 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/100
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/101
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/102
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/103
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/104
@@ -114462,7 +114531,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/106
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/106 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/107
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (8 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/108
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/109
@@ -114474,7 +114543,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/112
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/112 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/113
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/114
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/115
@@ -114486,11 +114555,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/118
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/119
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/120
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/120 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/121
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/122
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/123
@@ -114502,11 +114571,11 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/126
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/126 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/127
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/128
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/129
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/130
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/130 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/131
@@ -114516,7 +114585,7 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/133
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/133 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/134
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/134 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/134 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/135
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/135 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/136
@@ -114526,16 +114595,16 @@
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/138
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/138 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/139
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (0 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (1 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/140
-9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (1 ms)
+9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/141
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/142
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (0 ms)
 9: [ RUN      ] SaneInput/PmeGatherTest.ReproducesOutputs/143
 9: [       OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (0 ms)
-9: [----------] 144 tests from SaneInput/PmeGatherTest (24 ms total)
+9: [----------] 144 tests from SaneInput/PmeGatherTest (32 ms total)
 9: 
 9: [----------] 16 tests from SaneInput/PmeSolveTest
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/0
@@ -114543,11 +114612,11 @@
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/1
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/2
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/4
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/5
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/6
@@ -114557,11 +114626,11 @@
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/8
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/9
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (8 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/10
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (0 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (1 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/11
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (1 ms)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/12
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/13
@@ -114569,33 +114638,33 @@
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/14
 9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (0 ms)
 9: [ RUN      ] SaneInput/PmeSolveTest.ReproducesOutputs/15
-9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (1 ms)
-9: [----------] 16 tests from SaneInput/PmeSolveTest (8 ms total)
+9: [       OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (0 ms)
+9: [----------] 16 tests from SaneInput/PmeSolveTest (14 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (0 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6
-9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (1 ms)
+9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7
 9: [       OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (2 ms total)
 9: 
 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (0 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (1 ms)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3
@@ -114607,8 +114676,8 @@
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6
 9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (0 ms)
 9: [ RUN      ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (1 ms)
-9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (4 ms total)
+9: [       OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (0 ms)
+9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (3 ms total)
 9: 
 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0
@@ -114616,23 +114685,23 @@
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (8 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (1 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12
@@ -114640,10 +114709,10 @@
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13
 9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (0 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (0 ms)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (1 ms)
 9: [ RUN      ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15
-9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (1 ms)
-9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (6 ms total)
+9: [       OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (0 ms)
+9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (14 ms total)
 9: 
 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0
@@ -114659,22 +114728,22 @@
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7
 9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (0 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (1 ms)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (0 ms)
 9: [ RUN      ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11
-9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (0 ms)
-9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (6 ms total)
+9: [       OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (2 ms)
+9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (8 ms total)
 9: 
 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2
@@ -114684,7 +114753,7 @@
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (2 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7
@@ -114692,44 +114761,44 @@
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8
 9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (0 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (0 ms)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms)
 9: [ RUN      ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11
-9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (0 ms)
-9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (8 ms total)
+9: [       OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (1 ms)
+9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (9 ms total)
 9: 
 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (3 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (4 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9
-9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (2 ms)
+9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (3 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms)
 9: [ RUN      ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11
 9: [       OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (3 ms)
-9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (24 ms total)
+9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (25 ms total)
 9: 
 9: [----------] Global test environment tear-down
-9: [==========] 257 tests from 10 test cases ran. (132 ms total)
+9: [==========] 257 tests from 10 test cases ran. (224 ms total)
 9: [  PASSED  ] 257 tests.
- 9/30 Test  #9: EwaldUnitTests ...................   Passed    0.34 sec
+ 9/30 Test  #9: EwaldUnitTests ...................   Passed    0.64 sec
 test 10
       Start 10: FFTUnitTests
 
@@ -114739,48 +114808,48 @@
 10: [----------] Global test environment set-up.
 10: [----------] 2 tests from ManyFFTTest
 10: [ RUN      ] ManyFFTTest.Complex1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (7 ms)
+10: [       OK ] ManyFFTTest.Complex1DLength48Multi5Test (2 ms)
 10: [ RUN      ] ManyFFTTest.Real1DLength48Multi5Test
-10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (10 ms)
-10: [----------] 2 tests from ManyFFTTest (19 ms total)
+10: [       OK ] ManyFFTTest.Real1DLength48Multi5Test (3 ms)
+10: [----------] 2 tests from ManyFFTTest (15 ms total)
 10: 
 10: [----------] 1 test from FFTTest
 10: [ RUN      ] FFTTest.Real2DLength18_15Test
-10: [       OK ] FFTTest.Real2DLength18_15Test (3 ms)
-10: [----------] 1 test from FFTTest (4 ms total)
+10: [       OK ] FFTTest.Real2DLength18_15Test (2 ms)
+10: [----------] 1 test from FFTTest (2 ms total)
 10: 
 10: [----------] 1 test from FFFTest3D
 10: [ RUN      ] FFFTest3D.Real5_6_9
-10: [       OK ] FFFTest3D.Real5_6_9 (2 ms)
-10: [----------] 1 test from FFFTest3D (2 ms total)
+10: [       OK ] FFFTest3D.Real5_6_9 (1 ms)
+10: [----------] 1 test from FFFTest3D (1 ms total)
 10: 
 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/0
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/1
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/2
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (5 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Complex/4
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/0
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/0 (1 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/1
 10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/1 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/2
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (1 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/2 (0 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/3
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (5 ms)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/3 (2 ms)
 10: [ RUN      ] 7_8_25_36_60/FFTTest1D.Real/4
-10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (6 ms)
-10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (19 ms total)
+10: [       OK ] 7_8_25_36_60/FFTTest1D.Real/4 (7 ms)
+10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (16 ms total)
 10: 
 10: [----------] Global test environment tear-down
-10: [==========] 14 tests from 4 test cases ran. (44 ms total)
+10: [==========] 14 tests from 4 test cases ran. (34 ms total)
 10: [  PASSED  ] 14 tests.
-10/30 Test #10: FFTUnitTests .....................   Passed    0.23 sec
+10/30 Test #10: FFTUnitTests .....................   Passed    0.46 sec
 test 11
       Start 11: GpuUtilsUnitTests
 
@@ -114973,9 +115042,9 @@
 11: [----------] 4 tests from AllocatorTest/3 (0 ms total)
 11: 
 11: [----------] Global test environment tear-down
-11: [==========] 62 tests from 20 test cases ran. (1 ms total)
+11: [==========] 62 tests from 20 test cases ran. (0 ms total)
 11: [  PASSED  ] 62 tests.
-11/30 Test #11: GpuUtilsUnitTests ................   Passed    0.19 sec
+11/30 Test #11: GpuUtilsUnitTests ................   Passed    0.51 sec
 test 12
       Start 12: HardwareUnitTests
 
@@ -114985,19 +115054,19 @@
 12: [----------] Global test environment set-up.
 12: [----------] 4 tests from HardwareTopologyTest
 12: [ RUN      ] HardwareTopologyTest.Execute
-12: [       OK ] HardwareTopologyTest.Execute (8 ms)
+12: [       OK ] HardwareTopologyTest.Execute (3 ms)
 12: [ RUN      ] HardwareTopologyTest.HwlocExecute
-12: [       OK ] HardwareTopologyTest.HwlocExecute (7 ms)
+12: [       OK ] HardwareTopologyTest.HwlocExecute (4 ms)
 12: [ RUN      ] HardwareTopologyTest.ProcessorSelfconsistency
-12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (8 ms)
+12: [       OK ] HardwareTopologyTest.ProcessorSelfconsistency (11 ms)
 12: [ RUN      ] HardwareTopologyTest.NumaCacheSelfconsistency
-12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (7 ms)
-12: [----------] 4 tests from HardwareTopologyTest (31 ms total)
+12: [       OK ] HardwareTopologyTest.NumaCacheSelfconsistency (8 ms)
+12: [----------] 4 tests from HardwareTopologyTest (26 ms total)
 12: 
 12: [----------] Global test environment tear-down
-12: [==========] 4 tests from 1 test case ran. (31 ms total)
+12: [==========] 4 tests from 1 test case ran. (26 ms total)
 12: [  PASSED  ] 4 tests.
-12/30 Test #12: HardwareUnitTests ................   Passed    0.22 sec
+12/30 Test #12: HardwareUnitTests ................   Passed    0.29 sec
 test 13
       Start 13: MathUnitTests
 
@@ -115048,16 +115117,16 @@
 13: [ RUN      ] TranslateAndScaleTest.scalingIdentity
 13: [       OK ] TranslateAndScaleTest.scalingIdentity (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingNonTrivial
-13: [       OK ] TranslateAndScaleTest.scalingNonTrivial (1 ms)
+13: [       OK ] TranslateAndScaleTest.scalingNonTrivial (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingInverseNoZero
 13: [       OK ] TranslateAndScaleTest.scalingInverseNoZero (0 ms)
 13: [ RUN      ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero
 13: [       OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms)
-13: [----------] 8 tests from TranslateAndScaleTest (1 ms total)
+13: [----------] 8 tests from TranslateAndScaleTest (0 ms total)
 13: 
 13: [----------] 12 tests from DensitySimilarityTest
 13: [ RUN      ] DensitySimilarityTest.InnerProductIsCorrect
-13: [       OK ] DensitySimilarityTest.InnerProductIsCorrect (0 ms)
+13: [       OK ] DensitySimilarityTest.InnerProductIsCorrect (1 ms)
 13: [ RUN      ] DensitySimilarityTest.InnerProductGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.InnerProductGradientIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch
@@ -115073,14 +115142,14 @@
 13: [ RUN      ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsOne
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (21 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsOne (17 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (17 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (20 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated
-13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (20 ms)
+13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (23 ms)
 13: [ RUN      ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect
 13: [       OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (0 ms)
-13: [----------] 12 tests from DensitySimilarityTest (59 ms total)
+13: [----------] 12 tests from DensitySimilarityTest (62 ms total)
 13: 
 13: [----------] 6 tests from StructureSimilarityTest
 13: [ RUN      ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD
@@ -115128,7 +115197,7 @@
 13: [ RUN      ] FunctionTest.InvsqrtFloat
 13: [       OK ] FunctionTest.InvsqrtFloat (0 ms)
 13: [ RUN      ] FunctionTest.InvsqrtDouble
-13: [       OK ] FunctionTest.InvsqrtDouble (1 ms)
+13: [       OK ] FunctionTest.InvsqrtDouble (0 ms)
 13: [ RUN      ] FunctionTest.InvsqrtInteger
 13: [       OK ] FunctionTest.InvsqrtInteger (0 ms)
 13: [ RUN      ] FunctionTest.InvcbrtFloat
@@ -115158,19 +115227,19 @@
 13: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesFloat
 13: [       OK ] FunctionTest.ErfAndErfInvAreInversesFloat (0 ms)
 13: [ RUN      ] FunctionTest.ErfAndErfInvAreInversesDouble
-13: [       OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms)
+13: [       OK ] FunctionTest.ErfAndErfInvAreInversesDouble (1 ms)
 13: [----------] 21 tests from FunctionTest (1 ms total)
 13: 
 13: [----------] 4 tests from GaussianOn1DLattice
 13: [ RUN      ] GaussianOn1DLattice.sumsCloseToOne
-13: [       OK ] GaussianOn1DLattice.sumsCloseToOne (1 ms)
+13: [       OK ] GaussianOn1DLattice.sumsCloseToOne (0 ms)
 13: [ RUN      ] GaussianOn1DLattice.isCorrect
 13: [       OK ] GaussianOn1DLattice.isCorrect (0 ms)
 13: [ RUN      ] GaussianOn1DLattice.complementaryAmplitudesSumToZero
 13: [       OK ] GaussianOn1DLattice.complementaryAmplitudesSumToZero (0 ms)
 13: [ RUN      ] GaussianOn1DLattice.doesNotOverflowForLargeRange
 13: [       OK ] GaussianOn1DLattice.doesNotOverflowForLargeRange (0 ms)
-13: [----------] 4 tests from GaussianOn1DLattice (1 ms total)
+13: [----------] 4 tests from GaussianOn1DLattice (0 ms total)
 13: 
 13: [----------] 9 tests from GaussTransformTest
 13: [ RUN      ] GaussTransformTest.isZeroUponConstruction
@@ -115300,7 +115369,7 @@
 13: [       OK ] MultiDimArrayTest.constViewConstBegin (0 ms)
 13: [ RUN      ] MultiDimArrayTest.constViewConstEnd
 13: [       OK ] MultiDimArrayTest.constViewConstEnd (0 ms)
-13: [----------] 25 tests from MultiDimArrayTest (0 ms total)
+13: [----------] 25 tests from MultiDimArrayTest (8 ms total)
 13: 
 13: [----------] 4 tests from MultiDimArrayToMdSpanTest
 13: [ RUN      ] MultiDimArrayToMdSpanTest.convertsToMdSpan
@@ -115365,8 +115434,8 @@
 13: [ RUN      ] PaddedVectorTest/4.CanMoveAssign
 13: [       OK ] PaddedVectorTest/4.CanMoveAssign (0 ms)
 13: [ RUN      ] PaddedVectorTest/4.CanSwap
-13: [       OK ] PaddedVectorTest/4.CanSwap (1 ms)
-13: [----------] 4 tests from PaddedVectorTest/4 (1 ms total)
+13: [       OK ] PaddedVectorTest/4.CanSwap (0 ms)
+13: [----------] 4 tests from PaddedVectorTest/4 (0 ms total)
 13: 
 13: [----------] 4 tests from PaddedVectorTest/5, where TypeParam = gmx::Allocator<int, gmx::AlignedAllocationPolicy>
 13: [ RUN      ] PaddedVectorTest/5.ConstructsResizesAndReserves
@@ -115388,7 +115457,7 @@
 13: [       OK ] PaddedVectorTest/6.CanMoveAssign (0 ms)
 13: [ RUN      ] PaddedVectorTest/6.CanSwap
 13: [       OK ] PaddedVectorTest/6.CanSwap (0 ms)
-13: [----------] 4 tests from PaddedVectorTest/6 (0 ms total)
+13: [----------] 4 tests from PaddedVectorTest/6 (1 ms total)
 13: 
 13: [----------] 4 tests from PaddedVectorTest/7, where TypeParam = gmx::Allocator<double, gmx::AlignedAllocationPolicy>
 13: [ RUN      ] PaddedVectorTest/7.ConstructsResizesAndReserves
@@ -115501,9 +115570,9 @@
 13: [----------] 37 tests from RVecTest (0 ms total)
 13: 
 13: [----------] Global test environment tear-down
-13: [==========] 204 tests from 29 test cases ran. (63 ms total)
+13: [==========] 204 tests from 29 test cases ran. (72 ms total)
 13: [  PASSED  ] 204 tests.
-13/30 Test #13: MathUnitTests ....................   Passed    0.26 sec
+13/30 Test #13: MathUnitTests ....................   Passed    0.66 sec
 test 14
       Start 14: MdrunUtilityUnitTests
 
@@ -115513,7 +115582,7 @@
 14: [----------] Global test environment set-up.
 14: [----------] 17 tests from ThreadAffinityTest
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWhenDisabled
-14: [       OK ] ThreadAffinityTest.DoesNothingWhenDisabled (1 ms)
+14: [       OK ] ThreadAffinityTest.DoesNothingWhenDisabled (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWhenNotSupported
 14: [       OK ] ThreadAffinityTest.DoesNothingWhenNotSupported (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads
@@ -115527,33 +115596,33 @@
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooManyThreads
 14: [       OK ] ThreadAffinityTest.DoesNothingWithTooManyThreads (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooLargeOffset
-14: [       OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (1 ms)
+14: [       OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (0 ms)
 14: [ RUN      ] ThreadAffinityTest.DoesNothingWithTooLargeStride
 14: [       OK ] ThreadAffinityTest.DoesNothingWithTooLargeStride (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWithAuto
-14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (0 ms)
+14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (1 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWhenForced
 14: [       OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced
-14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (1 ms)
+14: [       OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (0 ms)
 14: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread
 14: NOTE: Affinity setting failed.
 14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithAuto
-14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (1 ms)
+14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (10 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced
 14: [       OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms)
 14: [ RUN      ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads
-14: [       OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (0 ms)
+14: [       OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (4 ms)
 14: [ RUN      ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing
 14: NOTE: Affinity setting for 1/2 threads failed.
-14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (1 ms)
-14: [----------] 17 tests from ThreadAffinityTest (5 ms total)
+14: [       OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (8 ms)
+14: [----------] 17 tests from ThreadAffinityTest (23 ms total)
 14: 
 14: [----------] Global test environment tear-down
-14: [==========] 17 tests from 1 test case ran. (5 ms total)
+14: [==========] 17 tests from 1 test case ran. (23 ms total)
 14: [  PASSED  ] 17 tests.
-14/30 Test #14: MdrunUtilityUnitTests ............   Passed    0.19 sec
+14/30 Test #14: MdrunUtilityUnitTests ............   Passed    0.57 sec
 test 15
       Start 15: MdrunUtilityMpiUnitTests
 
@@ -115580,23 +115649,23 @@
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly
 15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (0 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (1 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (0 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (1 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (1 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (0 ms)
 15: [ RUN      ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly
-15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (0 ms)
+15: [       OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (1 ms)
 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (3 ms total)
 15: 
 15: [----------] Global test environment tear-down
-15: [==========] 13 tests from 2 test cases ran. (6 ms total)
+15: [==========] 13 tests from 2 test cases ran. (7 ms total)
 15: [  PASSED  ] 13 tests.
-15/30 Test #15: MdrunUtilityMpiUnitTests .........   Passed    0.22 sec
+15/30 Test #15: MdrunUtilityMpiUnitTests .........   Passed    0.41 sec
 test 16
       Start 16: MDSpanTests
 
@@ -115692,7 +115761,7 @@
 16: [----------] Global test environment tear-down
 16: [==========] 32 tests from 7 test cases ran. (0 ms total)
 16: [  PASSED  ] 32 tests.
-16/30 Test #16: MDSpanTests ......................   Passed    0.19 sec
+16/30 Test #16: MDSpanTests ......................   Passed    0.37 sec
 test 17
       Start 17: OnlineHelpUnitTests
 
@@ -115721,8 +115790,8 @@
 17: [ RUN      ] HelpManagerTest.HandlesSubTopics
 17: [       OK ] HelpManagerTest.HandlesSubTopics (0 ms)
 17: [ RUN      ] HelpManagerTest.HandlesInvalidTopics
-17: [       OK ] HelpManagerTest.HandlesInvalidTopics (1 ms)
-17: [----------] 3 tests from HelpManagerTest (1 ms total)
+17: [       OK ] HelpManagerTest.HandlesInvalidTopics (0 ms)
+17: [----------] 3 tests from HelpManagerTest (0 ms total)
 17: 
 17: [----------] 2 tests from HelpTopicFormattingTest
 17: [ RUN      ] HelpTopicFormattingTest.FormatsSimpleTopic
@@ -115733,7 +115802,7 @@
 17: 
 17: [----------] 11 tests from HelpWriterContextTest
 17: [ RUN      ] HelpWriterContextTest.FormatsParagraphs
-17: [       OK ] HelpWriterContextTest.FormatsParagraphs (0 ms)
+17: [       OK ] HelpWriterContextTest.FormatsParagraphs (1 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsRstStyleParagraphs
 17: [       OK ] HelpWriterContextTest.FormatsRstStyleParagraphs (0 ms)
 17: [ RUN      ] HelpWriterContextTest.CleansUpExtraWhitespace
@@ -115745,7 +115814,7 @@
 17: [ RUN      ] HelpWriterContextTest.FormatsLiteralTextWithIndentation
 17: [       OK ] HelpWriterContextTest.FormatsLiteralTextWithIndentation (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsBulletList
-17: [       OK ] HelpWriterContextTest.FormatsBulletList (1 ms)
+17: [       OK ] HelpWriterContextTest.FormatsBulletList (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsEnumeratedList
 17: [       OK ] HelpWriterContextTest.FormatsEnumeratedList (0 ms)
 17: [ RUN      ] HelpWriterContextTest.FormatsSimpleTable
@@ -115757,9 +115826,9 @@
 17: [----------] 11 tests from HelpWriterContextTest (1 ms total)
 17: 
 17: [----------] Global test environment tear-down
-17: [==========] 22 tests from 4 test cases ran. (3 ms total)
+17: [==========] 22 tests from 4 test cases ran. (1 ms total)
 17: [  PASSED  ] 22 tests.
-17/30 Test #17: OnlineHelpUnitTests ..............   Passed    0.19 sec
+17/30 Test #17: OnlineHelpUnitTests ..............   Passed    0.39 sec
 test 18
       Start 18: OptionsUnitTests
 
@@ -115769,13 +115838,13 @@
 18: [----------] Global test environment set-up.
 18: [----------] 5 tests from AbstractOptionStorageTest
 18: [ RUN      ] AbstractOptionStorageTest.HandlesSetInFinish
-18: [       OK ] AbstractOptionStorageTest.HandlesSetInFinish (1 ms)
+18: [       OK ] AbstractOptionStorageTest.HandlesSetInFinish (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.HandlesValueRemoval
 18: [       OK ] AbstractOptionStorageTest.HandlesValueRemoval (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.HandlesValueAddition
 18: [       OK ] AbstractOptionStorageTest.HandlesValueAddition (0 ms)
 18: [ RUN      ] AbstractOptionStorageTest.HandlesTooManyValueAddition
-18: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (0 ms)
+18: [       OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (1 ms)
 18: [ RUN      ] AbstractOptionStorageTest.AllowsEmptyValues
 18: [       OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms)
 18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total)
@@ -115784,7 +115853,7 @@
 18: [ RUN      ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension
 18: [       OK ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension (0 ms)
 18: [ RUN      ] FileNameOptionTest.HandlesRequiredOptionWithoutValue
-18: [       OK ] FileNameOptionTest.HandlesRequiredOptionWithoutValue (1 ms)
+18: [       OK ] FileNameOptionTest.HandlesRequiredOptionWithoutValue (0 ms)
 18: [ RUN      ] FileNameOptionTest.HandlesOptionalUnsetOption
 18: [       OK ] FileNameOptionTest.HandlesOptionalUnsetOption (0 ms)
 18: [ RUN      ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension
@@ -115797,7 +115866,7 @@
 18: [       OK ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix (0 ms)
 18: [ RUN      ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix
 18: [       OK ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix (0 ms)
-18: [----------] 8 tests from FileNameOptionTest (1 ms total)
+18: [----------] 8 tests from FileNameOptionTest (0 ms total)
 18: 
 18: [----------] 15 tests from FileNameOptionManagerTest
 18: [ RUN      ] FileNameOptionManagerTest.AddsMissingExtension
@@ -115827,10 +115896,10 @@
 18: [ RUN      ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile
 18: [       OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile
-18: [       OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile (1 ms)
+18: [       OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile (0 ms)
 18: [ RUN      ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking
 18: [       OK ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking (0 ms)
-18: [----------] 15 tests from FileNameOptionManagerTest (1 ms total)
+18: [----------] 15 tests from FileNameOptionManagerTest (0 ms total)
 18: 
 18: [----------] 1 test from OptionsTest
 18: [ RUN      ] OptionsTest.FailsOnNonsafeStorage
@@ -115895,8 +115964,8 @@
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue
 18: [       OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue (0 ms)
 18: [ RUN      ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment
-18: [       OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (1 ms)
-18: [----------] 13 tests from OptionsAssignerIntegerTest (1 ms total)
+18: [       OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (0 ms)
+18: [----------] 13 tests from OptionsAssignerIntegerTest (0 ms total)
 18: 
 18: [----------] 5 tests from OptionsAssignerDoubleTest
 18: [ RUN      ] OptionsAssignerDoubleTest.StoresSingleValue
@@ -115998,14 +116067,14 @@
 18: [ RUN      ] TreeValueSupportCheckTest.HandlesEmpty
 18: [       OK ] TreeValueSupportCheckTest.HandlesEmpty (0 ms)
 18: [ RUN      ] TreeValueSupportCheckTest.HandlesMatchingTree
-18: [       OK ] TreeValueSupportCheckTest.HandlesMatchingTree (1 ms)
+18: [       OK ] TreeValueSupportCheckTest.HandlesMatchingTree (0 ms)
 18: [ RUN      ] TreeValueSupportCheckTest.HandlesSmallerTree1
 18: [       OK ] TreeValueSupportCheckTest.HandlesSmallerTree1 (0 ms)
 18: [ RUN      ] TreeValueSupportCheckTest.HandlesSmallerTree2
 18: [       OK ] TreeValueSupportCheckTest.HandlesSmallerTree2 (0 ms)
 18: [ RUN      ] TreeValueSupportCheckTest.DetectsExtraValue
 18: [       OK ] TreeValueSupportCheckTest.DetectsExtraValue (0 ms)
-18: [----------] 5 tests from TreeValueSupportCheckTest (1 ms total)
+18: [----------] 5 tests from TreeValueSupportCheckTest (0 ms total)
 18: 
 18: [----------] 6 tests from TreeValueSupportAdjustTest
 18: [ RUN      ] TreeValueSupportAdjustTest.FillsDefaultValues
@@ -116039,12 +116108,12 @@
 18: [       OK ] TreeValueSupportTest.SupportsEnumIntOption (0 ms)
 18: [ RUN      ] TreeValueSupportTest.SupportsEnumOption
 18: [       OK ] TreeValueSupportTest.SupportsEnumOption (0 ms)
-18: [----------] 8 tests from TreeValueSupportTest (1 ms total)
+18: [----------] 8 tests from TreeValueSupportTest (0 ms total)
 18: 
 18: [----------] Global test environment tear-down
-18: [==========] 110 tests from 18 test cases ran. (6 ms total)
+18: [==========] 110 tests from 18 test cases ran. (2 ms total)
 18: [  PASSED  ] 110 tests.
-18/30 Test #18: OptionsUnitTests .................   Passed    0.20 sec
+18/30 Test #18: OptionsUnitTests .................   Passed    0.24 sec
 test 19
       Start 19: PbcutilUnitTest
 
@@ -116054,8 +116123,8 @@
 19: [----------] Global test environment set-up.
 19: [----------] 1 test from PbcTest
 19: [ RUN      ] PbcTest.CalcShiftsWorks
-19: [       OK ] PbcTest.CalcShiftsWorks (1 ms)
-19: [----------] 1 test from PbcTest (1 ms total)
+19: [       OK ] PbcTest.CalcShiftsWorks (0 ms)
+19: [----------] 1 test from PbcTest (0 ms total)
 19: 
 19: [----------] 2 tests from PbcEnumsTest
 19: [ RUN      ] PbcEnumsTest.CenteringTypeNamesAreCorrect
@@ -116065,9 +116134,9 @@
 19: [----------] 2 tests from PbcEnumsTest (0 ms total)
 19: 
 19: [----------] Global test environment tear-down
-19: [==========] 3 tests from 2 test cases ran. (1 ms total)
+19: [==========] 3 tests from 2 test cases ran. (0 ms total)
 19: [  PASSED  ] 3 tests.
-19/30 Test #19: PbcutilUnitTest ..................   Passed    0.16 sec
+19/30 Test #19: PbcutilUnitTest ..................   Passed    0.34 sec
 test 20
       Start 20: RandomUnitTests
 
@@ -116088,14 +116157,14 @@
 20: 
 20: [----------] 4 tests from GammaDistributionTest
 20: [ RUN      ] GammaDistributionTest.Output
-20: [       OK ] GammaDistributionTest.Output (1 ms)
+20: [       OK ] GammaDistributionTest.Output (0 ms)
 20: [ RUN      ] GammaDistributionTest.Logical
 20: [       OK ] GammaDistributionTest.Logical (0 ms)
 20: [ RUN      ] GammaDistributionTest.Reset
 20: [       OK ] GammaDistributionTest.Reset (0 ms)
 20: [ RUN      ] GammaDistributionTest.AltParam
 20: [       OK ] GammaDistributionTest.AltParam (0 ms)
-20: [----------] 4 tests from GammaDistributionTest (1 ms total)
+20: [----------] 4 tests from GammaDistributionTest (0 ms total)
 20: 
 20: [----------] 4 tests from NormalDistributionTest
 20: [ RUN      ] NormalDistributionTest.Output
@@ -116130,8 +116199,8 @@
 20: 
 20: [----------] 1 test from TabulatedNormalDistributionTableTest
 20: [ RUN      ] TabulatedNormalDistributionTableTest.HasValidProperties
-20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (2 ms)
-20: [----------] 1 test from TabulatedNormalDistributionTableTest (2 ms total)
+20: [       OK ] TabulatedNormalDistributionTableTest.HasValidProperties (1 ms)
+20: [----------] 1 test from TabulatedNormalDistributionTableTest (1 ms total)
 20: 
 20: [----------] 6 tests from ThreeFry2x64Test
 20: [ RUN      ] ThreeFry2x64Test.Logical
@@ -116163,14 +116232,14 @@
 20: [ RUN      ] UniformRealDistributionTest.GenerateCanonical
 20: [       OK ] UniformRealDistributionTest.GenerateCanonical (0 ms)
 20: [ RUN      ] UniformRealDistributionTest.Output
-20: [       OK ] UniformRealDistributionTest.Output (1 ms)
+20: [       OK ] UniformRealDistributionTest.Output (0 ms)
 20: [ RUN      ] UniformRealDistributionTest.Logical
 20: [       OK ] UniformRealDistributionTest.Logical (0 ms)
 20: [ RUN      ] UniformRealDistributionTest.Reset
 20: [       OK ] UniformRealDistributionTest.Reset (0 ms)
 20: [ RUN      ] UniformRealDistributionTest.AltParam
 20: [       OK ] UniformRealDistributionTest.AltParam (0 ms)
-20: [----------] 5 tests from UniformRealDistributionTest (1 ms total)
+20: [----------] 5 tests from UniformRealDistributionTest (0 ms total)
 20: 
 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test
 20: [ RUN      ] KnownAnswersTest/ThreeFry2x64Test.Default/0
@@ -116194,9 +116263,9 @@
 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (0 ms total)
 20: 
 20: [----------] Global test environment tear-down
-20: [==========] 44 tests from 10 test cases ran. (4 ms total)
+20: [==========] 44 tests from 10 test cases ran. (1 ms total)
 20: [  PASSED  ] 44 tests.
-20/30 Test #20: RandomUnitTests ..................   Passed    0.20 sec
+20/30 Test #20: RandomUnitTests ..................   Passed    0.32 sec
 test 21
       Start 21: RestraintTests
 
@@ -116212,7 +116281,7 @@
 21: [----------] Global test environment tear-down
 21: [==========] 1 test from 1 test case ran. (0 ms total)
 21: [  PASSED  ] 1 test.
-21/30 Test #21: RestraintTests ...................   Passed    0.19 sec
+21/30 Test #21: RestraintTests ...................   Passed    0.26 sec
 test 22
       Start 22: TableUnitTests
 
@@ -116222,54 +116291,54 @@
 22: [----------] Global test environment set-up.
 22: [----------] 10 tests from SplineTableTest/0, where TypeParam = gmx::QuadraticSplineTable
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectInput
-22: [       OK ] SplineTableTest/0.HandlesIncorrectInput (1 ms)
+22: [       OK ] SplineTableTest/0.HandlesIncorrectInput (0 ms)
 22: [ RUN      ] SplineTableTest/0.Sinc
 22: [       OK ] SplineTableTest/0.Sinc (1 ms)
 22: [ RUN      ] SplineTableTest/0.LJ12
-22: [       OK ] SplineTableTest/0.LJ12 (13 ms)
+22: [       OK ] SplineTableTest/0.LJ12 (6 ms)
 22: [ RUN      ] SplineTableTest/0.PmeCorrection
-22: [       OK ] SplineTableTest/0.PmeCorrection (1 ms)
+22: [       OK ] SplineTableTest/0.PmeCorrection (8 ms)
 22: [ RUN      ] SplineTableTest/0.HandlesIncorrectNumericalInput
-22: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (1 ms)
+22: [       OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (0 ms)
 22: [ RUN      ] SplineTableTest/0.NumericalInputPmeCorr
 22: [       OK ] SplineTableTest/0.NumericalInputPmeCorr (1 ms)
 22: [ RUN      ] SplineTableTest/0.TwoFunctions
-22: [       OK ] SplineTableTest/0.TwoFunctions (21 ms)
+22: [       OK ] SplineTableTest/0.TwoFunctions (17 ms)
 22: [ RUN      ] SplineTableTest/0.ThreeFunctions
 22: [       OK ] SplineTableTest/0.ThreeFunctions (18 ms)
 22: [ RUN      ] SplineTableTest/0.Simd
-22: [       OK ] SplineTableTest/0.Simd (3 ms)
+22: [       OK ] SplineTableTest/0.Simd (2 ms)
 22: [ RUN      ] SplineTableTest/0.SimdTwoFunctions
-22: [       OK ] SplineTableTest/0.SimdTwoFunctions (12 ms)
-22: [----------] 10 tests from SplineTableTest/0 (72 ms total)
+22: [       OK ] SplineTableTest/0.SimdTwoFunctions (16 ms)
+22: [----------] 10 tests from SplineTableTest/0 (77 ms total)
 22: 
 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectInput
-22: [       OK ] SplineTableTest/1.HandlesIncorrectInput (0 ms)
+22: [       OK ] SplineTableTest/1.HandlesIncorrectInput (1 ms)
 22: [ RUN      ] SplineTableTest/1.Sinc
-22: [       OK ] SplineTableTest/1.Sinc (1 ms)
+22: [       OK ] SplineTableTest/1.Sinc (0 ms)
 22: [ RUN      ] SplineTableTest/1.LJ12
 22: [       OK ] SplineTableTest/1.LJ12 (1 ms)
 22: [ RUN      ] SplineTableTest/1.PmeCorrection
-22: [       OK ] SplineTableTest/1.PmeCorrection (0 ms)
+22: [       OK ] SplineTableTest/1.PmeCorrection (8 ms)
 22: [ RUN      ] SplineTableTest/1.HandlesIncorrectNumericalInput
-22: [       OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (1 ms)
+22: [       OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (0 ms)
 22: [ RUN      ] SplineTableTest/1.NumericalInputPmeCorr
-22: [       OK ] SplineTableTest/1.NumericalInputPmeCorr (0 ms)
+22: [       OK ] SplineTableTest/1.NumericalInputPmeCorr (1 ms)
 22: [ RUN      ] SplineTableTest/1.TwoFunctions
 22: [       OK ] SplineTableTest/1.TwoFunctions (1 ms)
 22: [ RUN      ] SplineTableTest/1.ThreeFunctions
-22: [       OK ] SplineTableTest/1.ThreeFunctions (2 ms)
+22: [       OK ] SplineTableTest/1.ThreeFunctions (1 ms)
 22: [ RUN      ] SplineTableTest/1.Simd
 22: [       OK ] SplineTableTest/1.Simd (1 ms)
 22: [ RUN      ] SplineTableTest/1.SimdTwoFunctions
-22: [       OK ] SplineTableTest/1.SimdTwoFunctions (1 ms)
-22: [----------] 10 tests from SplineTableTest/1 (8 ms total)
+22: [       OK ] SplineTableTest/1.SimdTwoFunctions (9 ms)
+22: [----------] 10 tests from SplineTableTest/1 (23 ms total)
 22: 
 22: [----------] Global test environment tear-down
-22: [==========] 20 tests from 2 test cases ran. (81 ms total)
+22: [==========] 20 tests from 2 test cases ran. (100 ms total)
 22: [  PASSED  ] 20 tests.
-22/30 Test #22: TableUnitTests ...................   Passed    0.27 sec
+22/30 Test #22: TableUnitTests ...................   Passed    0.38 sec
 test 23
       Start 23: TaskAssignmentUnitTests
 
@@ -116286,13 +116355,13 @@
 23: 
 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest
 23: [ RUN      ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow
-23: [       OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (1 ms)
-23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (1 ms total)
+23: [       OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (0 ms)
+23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (0 ms total)
 23: 
 23: [----------] Global test environment tear-down
-23: [==========] 3 tests from 2 test cases ran. (1 ms total)
+23: [==========] 3 tests from 2 test cases ran. (0 ms total)
 23: [  PASSED  ] 3 tests.
-23/30 Test #23: TaskAssignmentUnitTests ..........   Passed    0.19 sec
+23/30 Test #23: TaskAssignmentUnitTests ..........   Passed    0.42 sec
 test 24
       Start 24: TopologyTest
 
@@ -116311,10 +116380,10 @@
 24: 
 24: [----------] 2 tests from MtopTest
 24: [ RUN      ] MtopTest.RangeBasedLoop
-24: [       OK ] MtopTest.RangeBasedLoop (1 ms)
+24: [       OK ] MtopTest.RangeBasedLoop (0 ms)
 24: [ RUN      ] MtopTest.Operators
 24: [       OK ] MtopTest.Operators (0 ms)
-24: [----------] 2 tests from MtopTest (1 ms total)
+24: [----------] 2 tests from MtopTest (0 ms total)
 24: 
 24: [----------] 6 tests from SymtabTest
 24: [ RUN      ] SymtabTest.EmptyOnOpen
@@ -116332,9 +116401,9 @@
 24: [----------] 6 tests from SymtabTest (0 ms total)
 24: 
 24: [----------] Global test environment tear-down
-24: [==========] 11 tests from 3 test cases ran. (1 ms total)
+24: [==========] 11 tests from 3 test cases ran. (0 ms total)
 24: [  PASSED  ] 11 tests.
-24/30 Test #24: TopologyTest .....................   Passed    0.19 sec
+24/30 Test #24: TopologyTest .....................   Passed    0.32 sec
 test 25
       Start 25: PullTest
 
@@ -116356,9 +116425,9 @@
 25: [----------] 5 tests from PullTest (0 ms total)
 25: 
 25: [----------] Global test environment tear-down
-25: [==========] 5 tests from 1 test case ran. (1 ms total)
+25: [==========] 5 tests from 1 test case ran. (0 ms total)
 25: [  PASSED  ] 5 tests.
-25/30 Test #25: PullTest .........................   Passed    0.19 sec
+25/30 Test #25: PullTest .........................   Passed    0.35 sec
 test 26
       Start 26: AwhTest
 
@@ -116368,19 +116437,19 @@
 26: [----------] Global test environment set-up.
 26: [----------] 1 test from BiasTest
 26: [ RUN      ] BiasTest.DetectsCovering
-26: [       OK ] BiasTest.DetectsCovering (1 ms)
-26: [----------] 1 test from BiasTest (1 ms total)
+26: [       OK ] BiasTest.DetectsCovering (0 ms)
+26: [----------] 1 test from BiasTest (0 ms total)
 26: 
 26: [----------] 1 test from gridTest
 26: [ RUN      ] gridTest.neighborhood
-26: [       OK ] gridTest.neighborhood (2 ms)
-26: [----------] 1 test from gridTest (2 ms total)
+26: [       OK ] gridTest.neighborhood (1 ms)
+26: [----------] 1 test from gridTest (1 ms total)
 26: 
 26: [----------] 8 tests from WithParameters/BiasTest
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/0
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/0 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/1
-26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (1 ms)
+26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/2
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/3
@@ -116393,7 +116462,7 @@
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (0 ms)
 26: [ RUN      ] WithParameters/BiasTest.ForcesBiasPmf/7
 26: [       OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (0 ms)
-26: [----------] 8 tests from WithParameters/BiasTest (4 ms total)
+26: [----------] 8 tests from WithParameters/BiasTest (1 ms total)
 26: 
 26: [----------] 2 tests from WithParameters/BiasStateTest
 26: [ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/0
@@ -116403,9 +116472,9 @@
 26: [----------] 2 tests from WithParameters/BiasStateTest (0 ms total)
 26: 
 26: [----------] Global test environment tear-down
-26: [==========] 12 tests from 4 test cases ran. (7 ms total)
+26: [==========] 12 tests from 4 test cases ran. (2 ms total)
 26: [  PASSED  ] 12 tests.
-26/30 Test #26: AwhTest ..........................   Passed    0.20 sec
+26/30 Test #26: AwhTest ..........................   Passed    0.50 sec
 test 27
       Start 27: SimdUnitTests
 
@@ -116443,7 +116512,7 @@
 27: [ RUN      ] SimdFloatingpointTest.setZero
 27: [       OK ] SimdFloatingpointTest.setZero (0 ms)
 27: [ RUN      ] SimdFloatingpointTest.set
-27: [       OK ] SimdFloatingpointTest.set (0 ms)
+27: [       OK ] SimdFloatingpointTest.set (1 ms)
 27: [ RUN      ] SimdFloatingpointTest.add
 27: [       OK ] SimdFloatingpointTest.add (0 ms)
 27: [ RUN      ] SimdFloatingpointTest.maskAdd
@@ -116463,7 +116532,7 @@
 27: [ RUN      ] SimdFloatingpointTest.fnma
 27: [       OK ] SimdFloatingpointTest.fnma (0 ms)
 27: [ RUN      ] SimdFloatingpointTest.fnms
-27: [       OK ] SimdFloatingpointTest.fnms (1 ms)
+27: [       OK ] SimdFloatingpointTest.fnms (0 ms)
 27: [ RUN      ] SimdFloatingpointTest.abs
 27: [       OK ] SimdFloatingpointTest.abs (0 ms)
 27: [ RUN      ] SimdFloatingpointTest.neg
@@ -116572,7 +116641,7 @@
 27: 
 27: [----------] 56 tests from SimdMathTest
 27: [ RUN      ] SimdMathTest.generateTestPointsFloat
-27: [       OK ] SimdMathTest.generateTestPointsFloat (1 ms)
+27: [       OK ] SimdMathTest.generateTestPointsFloat (0 ms)
 27: [ RUN      ] SimdMathTest.copysign
 27: [       OK ] SimdMathTest.copysign (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrt
@@ -116582,27 +116651,27 @@
 27: [ RUN      ] SimdMathTest.invsqrtPair
 27: [       OK ] SimdMathTest.invsqrtPair (1 ms)
 27: [ RUN      ] SimdMathTest.sqrt
-27: [       OK ] SimdMathTest.sqrt (1 ms)
+27: [       OK ] SimdMathTest.sqrt (0 ms)
 27: [ RUN      ] SimdMathTest.sqrtUnsafe
-27: [       OK ] SimdMathTest.sqrtUnsafe (1 ms)
+27: [       OK ] SimdMathTest.sqrtUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.inv
 27: [       OK ] SimdMathTest.inv (1 ms)
 27: [ RUN      ] SimdMathTest.maskzInv
 27: [       OK ] SimdMathTest.maskzInv (0 ms)
 27: [ RUN      ] SimdMathTest.cbrt
-27: [       OK ] SimdMathTest.cbrt (1 ms)
+27: [       OK ] SimdMathTest.cbrt (8 ms)
 27: [ RUN      ] SimdMathTest.invcbrt
-27: [       OK ] SimdMathTest.invcbrt (2 ms)
+27: [       OK ] SimdMathTest.invcbrt (1 ms)
 27: [ RUN      ] SimdMathTest.log2
-27: [       OK ] SimdMathTest.log2 (1 ms)
+27: [       OK ] SimdMathTest.log2 (0 ms)
 27: [ RUN      ] SimdMathTest.log
 27: [       OK ] SimdMathTest.log (0 ms)
 27: [ RUN      ] SimdMathTest.exp2
-27: [       OK ] SimdMathTest.exp2 (2 ms)
+27: [       OK ] SimdMathTest.exp2 (1 ms)
 27: [ RUN      ] SimdMathTest.exp2Unsafe
-27: [       OK ] SimdMathTest.exp2Unsafe (1 ms)
+27: [       OK ] SimdMathTest.exp2Unsafe (0 ms)
 27: [ RUN      ] SimdMathTest.exp
-27: [       OK ] SimdMathTest.exp (2 ms)
+27: [       OK ] SimdMathTest.exp (1 ms)
 27: [ RUN      ] SimdMathTest.expUnsafe
 27: [       OK ] SimdMathTest.expUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.pow
@@ -116614,13 +116683,13 @@
 27: [ RUN      ] SimdMathTest.erfc
 27: [       OK ] SimdMathTest.erfc (1 ms)
 27: [ RUN      ] SimdMathTest.sin
-27: [       OK ] SimdMathTest.sin (1 ms)
+27: [       OK ] SimdMathTest.sin (0 ms)
 27: [ RUN      ] SimdMathTest.cos
-27: [       OK ] SimdMathTest.cos (1 ms)
+27: [       OK ] SimdMathTest.cos (8 ms)
 27: [ RUN      ] SimdMathTest.tan
 27: [       OK ] SimdMathTest.tan (1 ms)
 27: [ RUN      ] SimdMathTest.asin
-27: [       OK ] SimdMathTest.asin (1 ms)
+27: [       OK ] SimdMathTest.asin (0 ms)
 27: [ RUN      ] SimdMathTest.acos
 27: [       OK ] SimdMathTest.acos (0 ms)
 27: [ RUN      ] SimdMathTest.atan
@@ -116628,35 +116697,35 @@
 27: [ RUN      ] SimdMathTest.atan2
 27: [       OK ] SimdMathTest.atan2 (0 ms)
 27: [ RUN      ] SimdMathTest.pmeForceCorrection
-27: [       OK ] SimdMathTest.pmeForceCorrection (1 ms)
+27: [       OK ] SimdMathTest.pmeForceCorrection (0 ms)
 27: [ RUN      ] SimdMathTest.pmePotentialCorrection
-27: [       OK ] SimdMathTest.pmePotentialCorrection (1 ms)
+27: [       OK ] SimdMathTest.pmePotentialCorrection (0 ms)
 27: [ RUN      ] SimdMathTest.invsqrtSingleAccuracy
-27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (0 ms)
+27: [       OK ] SimdMathTest.invsqrtSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.invsqrtPairSingleAccuracy
-27: [       OK ] SimdMathTest.invsqrtPairSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.invsqrtPairSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracy
-27: [       OK ] SimdMathTest.sqrtSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.sqrtSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.sqrtSingleAccuracyUnsafe
 27: [       OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.invSingleAccuracy
 27: [       OK ] SimdMathTest.invSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.cbrtSingleAccuracy
-27: [       OK ] SimdMathTest.cbrtSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.cbrtSingleAccuracy (4 ms)
 27: [ RUN      ] SimdMathTest.invcbrtSingleAccuracy
-27: [       OK ] SimdMathTest.invcbrtSingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.invcbrtSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.log2SingleAccuracy
-27: [       OK ] SimdMathTest.log2SingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.log2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.logSingleAccuracy
-27: [       OK ] SimdMathTest.logSingleAccuracy (0 ms)
+27: [       OK ] SimdMathTest.logSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracy
-27: [       OK ] SimdMathTest.exp2SingleAccuracy (2 ms)
+27: [       OK ] SimdMathTest.exp2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.exp2SingleAccuracyUnsafe
 27: [       OK ] SimdMathTest.exp2SingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracy
 27: [       OK ] SimdMathTest.expSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.expSingleAccuracyUnsafe
-27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (1 ms)
+27: [       OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracy
 27: [       OK ] SimdMathTest.powSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.powSingleAccuracyUnsafe
@@ -116666,24 +116735,24 @@
 27: [ RUN      ] SimdMathTest.erfcSingleAccuracy
 27: [       OK ] SimdMathTest.erfcSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.sinSingleAccuracy
-27: [       OK ] SimdMathTest.sinSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.sinSingleAccuracy (12 ms)
 27: [ RUN      ] SimdMathTest.cosSingleAccuracy
 27: [       OK ] SimdMathTest.cosSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.tanSingleAccuracy
-27: [       OK ] SimdMathTest.tanSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.tanSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.asinSingleAccuracy
 27: [       OK ] SimdMathTest.asinSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.acosSingleAccuracy
 27: [       OK ] SimdMathTest.acosSingleAccuracy (1 ms)
 27: [ RUN      ] SimdMathTest.atanSingleAccuracy
-27: [       OK ] SimdMathTest.atanSingleAccuracy (1 ms)
+27: [       OK ] SimdMathTest.atanSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.atan2SingleAccuracy
 27: [       OK ] SimdMathTest.atan2SingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.pmeForceCorrectionSingleAccuracy
 27: [       OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (0 ms)
 27: [ RUN      ] SimdMathTest.pmePotentialCorrectionSingleAccuracy
 27: [       OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (1 ms)
-27: [----------] 56 tests from SimdMathTest (43 ms total)
+27: [----------] 56 tests from SimdMathTest (49 ms total)
 27: 
 27: [----------] 1 test from EmptyArrayRefTest
 27: [ RUN      ] EmptyArrayRefTest.IsEmpty
@@ -116855,12 +116924,12 @@
 27: [ RUN      ] Simd4FloatingpointTest.blend
 27: [       OK ] Simd4FloatingpointTest.blend (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.reduce
-27: [       OK ] Simd4FloatingpointTest.reduce (1 ms)
+27: [       OK ] Simd4FloatingpointTest.reduce (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.dotProduct
 27: [       OK ] Simd4FloatingpointTest.dotProduct (0 ms)
 27: [ RUN      ] Simd4FloatingpointTest.transpose
 27: [       OK ] Simd4FloatingpointTest.transpose (0 ms)
-27: [----------] 32 tests from Simd4FloatingpointTest (1 ms total)
+27: [----------] 32 tests from Simd4FloatingpointTest (0 ms total)
 27: 
 27: [----------] 1 test from Simd4VectorOperationsTest
 27: [ RUN      ] Simd4VectorOperationsTest.norm2
@@ -117056,9 +117125,9 @@
 27: [----------] 37 tests from SimdScalarMathTest (0 ms total)
 27: 
 27: [----------] Global test environment tear-down
-27: [==========] 288 tests from 22 test cases ran. (45 ms total)
+27: [==========] 288 tests from 22 test cases ran. (50 ms total)
 27: [  PASSED  ] 288 tests.
-27/30 Test #27: SimdUnitTests ....................   Passed    0.24 sec
+27/30 Test #27: SimdUnitTests ....................   Passed    0.46 sec
 test 28
       Start 28: CompatibilityHelpersTests
 
@@ -117088,7 +117157,7 @@
 28: [ RUN      ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting
 28: [       OK ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting (0 ms)
 28: [ RUN      ] OptionalTest.CanCopyConstructFromNonEmptyOptional
-28: [       OK ] OptionalTest.CanCopyConstructFromNonEmptyOptional (1 ms)
+28: [       OK ] OptionalTest.CanCopyConstructFromNonEmptyOptional (0 ms)
 28: [ RUN      ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting
 28: [       OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting (0 ms)
 28: [ RUN      ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting
@@ -117174,7 +117243,7 @@
 28: sizeof( optional<long double> ): 32 (16)
 28: sizeof( optional<Struct> ): 2 (1)
 28: [       OK ] OptionalTest.ShowSizeDependingOnBaseType (0 ms)
-28: [----------] 45 tests from OptionalTest (1 ms total)
+28: [----------] 45 tests from OptionalTest (0 ms total)
 28: 
 28: [----------] 7 tests from MakeOptionalTest
 28: [ RUN      ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals
@@ -117202,7 +117271,7 @@
 28: [       OK ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged (0 ms)
 28: [ RUN      ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged
 28: [       OK ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged (0 ms)
-28: [----------] 4 tests from OptionalMemberSwapTest (0 ms total)
+28: [----------] 4 tests from OptionalMemberSwapTest (1 ms total)
 28: 
 28: [----------] 4 tests from OptionalImplicitValueTest
 28: [ RUN      ] OptionalImplicitValueTest.CanObtainValueConst
@@ -117256,7 +117325,7 @@
 28: [       OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged (0 ms)
 28: [ RUN      ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged
 28: [       OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged (0 ms)
-28: [----------] 20 tests from OptionalIntValueTest (1 ms total)
+28: [----------] 20 tests from OptionalIntValueTest (0 ms total)
 28: 
 28: [----------] 1 test from NotNullConstruction
 28: [ RUN      ] NotNullConstruction.Works
@@ -117337,7 +117406,7 @@
 28: [ RUN      ] StringViewTest.CanObtainSubstringWithSubstr
 28: [       OK ] StringViewTest.CanObtainSubstringWithSubstr (0 ms)
 28: [ RUN      ] StringViewTest.ThrowsOnOutOfBoundsSubstr
-28: [       OK ] StringViewTest.ThrowsOnOutOfBoundsSubstr (1 ms)
+28: [       OK ] StringViewTest.ThrowsOnOutOfBoundsSubstr (0 ms)
 28: [ RUN      ] StringViewTest.CanLexicallyCompareViewWithCompare
 28: [       OK ] StringViewTest.CanLexicallyCompareViewWithCompare (0 ms)
 28: [ RUN      ] StringViewTest.CanCompareEmptyViewsWIthCompare
@@ -117444,7 +117513,7 @@
 28: [       OK ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString (0 ms)
 28: [ RUN      ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString
 28: [       OK ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString (0 ms)
-28: [----------] 80 tests from StringViewTest (1 ms total)
+28: [----------] 80 tests from StringViewTest (0 ms total)
 28: 
 28: [----------] 5 tests from StringViewExtensionTest
 28: [ RUN      ] StringViewExtensionTest.CanConstructViewFromString
@@ -117460,9 +117529,9 @@
 28: [----------] 5 tests from StringViewExtensionTest (0 ms total)
 28: 
 28: [----------] Global test environment tear-down
-28: [==========] 170 tests from 12 test cases ran. (3 ms total)
+28: [==========] 170 tests from 12 test cases ran. (1 ms total)
 28: [  PASSED  ] 170 tests.
-28/30 Test #28: CompatibilityHelpersTests ........   Passed    0.19 sec
+28/30 Test #28: CompatibilityHelpersTests ........   Passed    0.27 sec
 test 29
       Start 29: FileIOTests
 
@@ -117472,10 +117541,10 @@
 29: [----------] Global test environment set-up.
 29: [----------] 2 tests from FileMD5Test
 29: [ RUN      ] FileMD5Test.CanComputeMD5
-29: [       OK ] FileMD5Test.CanComputeMD5 (2 ms)
+29: [       OK ] FileMD5Test.CanComputeMD5 (1 ms)
 29: [ RUN      ] FileMD5Test.ReturnsErrorIfFileModeIsWrong
 29: [       OK ] FileMD5Test.ReturnsErrorIfFileModeIsWrong (0 ms)
-29: [----------] 2 tests from FileMD5Test (2 ms total)
+29: [----------] 2 tests from FileMD5Test (1 ms total)
 29: 
 29: [----------] 3 tests from MrcSerializer
 29: [ RUN      ] MrcSerializer.DefaultHeaderValuesAreSet
@@ -117488,14 +117557,14 @@
 29: 
 29: [----------] 4 tests from MrcDensityMap
 29: [ RUN      ] MrcDensityMap.RoundTripIsIdempotent
-29: [       OK ] MrcDensityMap.RoundTripIsIdempotent (1 ms)
+29: [       OK ] MrcDensityMap.RoundTripIsIdempotent (0 ms)
 29: [ RUN      ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent
-29: [       OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (1 ms)
+29: [       OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (0 ms)
 29: [ RUN      ] MrcDensityMap.ReadsCoordinateTransformationFromFile
 29: [       OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms)
 29: [ RUN      ] MrcDensityMap.ReadsDensityDataFromFile
 29: [       OK ] MrcDensityMap.ReadsDensityDataFromFile (1 ms)
-29: [----------] 4 tests from MrcDensityMap (4 ms total)
+29: [----------] 4 tests from MrcDensityMap (1 ms total)
 29: 
 29: [----------] 8 tests from MrcDensityMapHeaderTest
 29: [ RUN      ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader
@@ -117585,17 +117654,17 @@
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0
 29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (0 ms)
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1
-29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (1 ms)
+29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (0 ms)
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2
-29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (2 ms)
+29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (1 ms)
 29: [ RUN      ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3
 29: [       OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (0 ms)
-29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (3 ms total)
+29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (1 ms total)
 29: 
 29: [----------] Global test environment tear-down
-29: [==========] 33 tests from 8 test cases ran. (11 ms total)
+29: [==========] 33 tests from 8 test cases ran. (5 ms total)
 29: [  PASSED  ] 33 tests.
-29/30 Test #29: FileIOTests ......................   Passed    0.20 sec
+29/30 Test #29: FileIOTests ......................   Passed    0.33 sec
 test 30
       Start 30: SelectionUnitTests
 
@@ -117612,7 +117681,7 @@
 30: [ RUN      ] IndexBlockTest.CreatesUnknownBlock
 30: [       OK ] IndexBlockTest.CreatesUnknownBlock (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesAtomBlock
-30: [       OK ] IndexBlockTest.CreatesAtomBlock (1 ms)
+30: [       OK ] IndexBlockTest.CreatesAtomBlock (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology
 30: [       OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesResidueBlocksForComplexTopology
@@ -117620,7 +117689,7 @@
 30: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology
 30: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology
-30: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (1 ms)
+30: [       OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (0 ms)
 30: [ RUN      ] IndexBlockTest.CreatesSingleBlock
 30: [       OK ] IndexBlockTest.CreatesSingleBlock (0 ms)
 30: [ RUN      ] IndexBlockTest.ChecksGroupForFullBlocksPositive
@@ -117639,7 +117708,7 @@
 30: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms)
 30: [ RUN      ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative
 30: [       OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms)
-30: [----------] 15 tests from IndexBlockTest (2 ms total)
+30: [----------] 15 tests from IndexBlockTest (0 ms total)
 30: 
 30: [----------] 11 tests from IndexMapTest
 30: [ RUN      ] IndexMapTest.InitializesAtomBlock
@@ -117647,9 +117716,9 @@
 30: [ RUN      ] IndexMapTest.InitializesOrgIdGroupAtom
 30: [       OK ] IndexMapTest.InitializesOrgIdGroupAtom (0 ms)
 30: [ RUN      ] IndexMapTest.InitializesOrgIdGroupSingle
-30: [       OK ] IndexMapTest.InitializesOrgIdGroupSingle (1 ms)
+30: [       OK ] IndexMapTest.InitializesOrgIdGroupSingle (0 ms)
 30: [ RUN      ] IndexMapTest.InitializesOrgIdGroupResidue
-30: [       OK ] IndexMapTest.InitializesOrgIdGroupResidue (0 ms)
+30: [       OK ] IndexMapTest.InitializesOrgIdGroupResidue (1 ms)
 30: [ RUN      ] IndexMapTest.InitializesOrgIdGroupMolecule
 30: [       OK ] IndexMapTest.InitializesOrgIdGroupMolecule (0 ms)
 30: [ RUN      ] IndexMapTest.InitializesOrgIdGroupAll
@@ -117663,8 +117732,8 @@
 30: [ RUN      ] IndexMapTest.MapsResidueBlocksWithMask
 30: [       OK ] IndexMapTest.MapsResidueBlocksWithMask (0 ms)
 30: [ RUN      ] IndexMapTest.HandlesMultipleRequests
-30: [       OK ] IndexMapTest.HandlesMultipleRequests (1 ms)
-30: [----------] 11 tests from IndexMapTest (3 ms total)
+30: [       OK ] IndexMapTest.HandlesMultipleRequests (0 ms)
+30: [----------] 11 tests from IndexMapTest (1 ms total)
 30: 
 30: [----------] 3 tests from IndexGroupsAndNamesTest
 30: [ RUN      ] IndexGroupsAndNamesTest.containsNames
@@ -117677,44 +117746,44 @@
 30: 
 30: [----------] 15 tests from NeighborhoodSearchTest
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSearch
-30: [       OK ] NeighborhoodSearchTest.SimpleSearch (20 ms)
+30: [       OK ] NeighborhoodSearchTest.SimpleSearch (15 ms)
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSearchXY
-30: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (16 ms)
+30: [       OK ] NeighborhoodSearchTest.SimpleSearchXY (15 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchBox
 30: [       OK ] NeighborhoodSearchTest.GridSearchBox (2 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchTriclinic
-30: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (8 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSearchTriclinic (4 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearch2DPBC
-30: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (3 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSearch2DPBC (6 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchNoPBC
 30: [       OK ] NeighborhoodSearchTest.GridSearchNoPBC (1 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchXYBox
-30: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (2 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSearchXYBox (1 ms)
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSelfPairsSearch
 30: [       OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSelfPairsSearch
-30: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (27 ms)
+30: [       OK ] NeighborhoodSearchTest.GridSelfPairsSearch (40 ms)
 30: [ RUN      ] NeighborhoodSearchTest.HandlesConcurrentSearches
 30: [       OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.HandlesNoPBC
-30: [       OK ] NeighborhoodSearchTest.HandlesNoPBC (1 ms)
+30: [       OK ] NeighborhoodSearchTest.HandlesNoPBC (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.HandlesNullPBC
 30: [       OK ] NeighborhoodSearchTest.HandlesNullPBC (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.HandlesSkippingPairs
 30: [       OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms)
 30: [ RUN      ] NeighborhoodSearchTest.SimpleSearchExclusions
-30: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (2 ms)
+30: [       OK ] NeighborhoodSearchTest.SimpleSearchExclusions (10 ms)
 30: [ RUN      ] NeighborhoodSearchTest.GridSearchExclusions
 30: [       OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms)
-30: [----------] 15 tests from NeighborhoodSearchTest (82 ms total)
+30: [----------] 15 tests from NeighborhoodSearchTest (94 ms total)
 30: 
 30: [----------] 12 tests from PositionCalculationTest
 30: [ RUN      ] PositionCalculationTest.ComputesAtomPositions
 30: [       OK ] PositionCalculationTest.ComputesAtomPositions (0 ms)
 30: [ RUN      ] PositionCalculationTest.ComputesResidueCOGPositions
-30: [       OK ] PositionCalculationTest.ComputesResidueCOGPositions (1 ms)
+30: [       OK ] PositionCalculationTest.ComputesResidueCOGPositions (0 ms)
 30: [ RUN      ] PositionCalculationTest.ComputesResidueCOMPositions
-30: [       OK ] PositionCalculationTest.ComputesResidueCOMPositions (0 ms)
+30: [       OK ] PositionCalculationTest.ComputesResidueCOMPositions (1 ms)
 30: [ RUN      ] PositionCalculationTest.ComputesGroupCOGPositions
 30: [       OK ] PositionCalculationTest.ComputesGroupCOGPositions (0 ms)
 30: [ RUN      ] PositionCalculationTest.ComputesGroupCOMPositions
@@ -117728,18 +117797,18 @@
 30: [ RUN      ] PositionCalculationTest.HandlesFramesWithLessAtoms
 30: [       OK ] PositionCalculationTest.HandlesFramesWithLessAtoms (0 ms)
 30: [ RUN      ] PositionCalculationTest.HandlesFramesWithLessAtoms2
-30: [       OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (1 ms)
+30: [       OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (0 ms)
 30: [ RUN      ] PositionCalculationTest.HandlesIdenticalStaticCalculations
 30: [       OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms)
 30: [ RUN      ] PositionCalculationTest.HandlesOverlappingStaticCalculations
 30: [       OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms)
-30: [----------] 12 tests from PositionCalculationTest (2 ms total)
+30: [----------] 12 tests from PositionCalculationTest (1 ms total)
 30: 
 30: [----------] 29 tests from SelectionCollectionTest
 30: [ RUN      ] SelectionCollectionTest.HandlesNoSelections
-30: [       OK ] SelectionCollectionTest.HandlesNoSelections (0 ms)
+30: [       OK ] SelectionCollectionTest.HandlesNoSelections (1 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType
-30: [       OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesVelocityAndForceRequests
 30: [       OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry
@@ -117755,11 +117824,11 @@
 30: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue2
 30: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesMissingMethodParamValue3
-30: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1
 30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2
-30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (0 ms)
+30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (1 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1
 30: [       OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2
@@ -117771,15 +117840,15 @@
 30: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup
 30: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed
-30: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (0 ms)
+30: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (1 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2
 30: [       OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo
-30: [       OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (1 ms)
+30: [       OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (0 ms)
 30: [ RUN      ] SelectionCollectionTest.RecoversFromMissingAtomTypes
-30: [       OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (0 ms)
+30: [       OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (4 ms)
 30: [ RUN      ] SelectionCollectionTest.RecoversFromMissingPDBInfo
-30: [       OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (0 ms)
+30: [       OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (1 ms)
 30: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation
 30: [       OK ] SelectionCollectionTest.RecoversFromInvalidPermutation (0 ms)
 30: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation2
@@ -117787,18 +117856,18 @@
 30: [ RUN      ] SelectionCollectionTest.RecoversFromInvalidPermutation3
 30: [       OK ] SelectionCollectionTest.RecoversFromInvalidPermutation3 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets
-30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets (1 ms)
+30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2
 30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 (0 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3
-30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (0 ms)
+30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (1 ms)
 30: [ RUN      ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4
 30: [       OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (0 ms)
-30: [----------] 29 tests from SelectionCollectionTest (6 ms total)
+30: [----------] 29 tests from SelectionCollectionTest (11 ms total)
 30: 
 30: [----------] 14 tests from SelectionCollectionInteractiveTest
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesBasicInput
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (1 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesContinuation
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesContinuation (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput
@@ -117806,26 +117875,26 @@
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (0 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (1 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (1 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (0 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (1 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesEmptySelections
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (1 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (0 ms)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (8 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput
 30: [       OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms)
 30: [ RUN      ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively
-30: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (0 ms)
-30: [----------] 14 tests from SelectionCollectionInteractiveTest (3 ms total)
+30: [       OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (1 ms)
+30: [----------] 14 tests from SelectionCollectionInteractiveTest (11 ms total)
 30: 
 30: [----------] 66 tests from SelectionCollectionDataTest
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAllNone
@@ -117833,31 +117902,31 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAtomnr
 30: [       OK ] SelectionCollectionDataTest.HandlesAtomnr (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesResnr
-30: [       OK ] SelectionCollectionDataTest.HandlesResnr (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesResnr (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesResIndex
-30: [       OK ] SelectionCollectionDataTest.HandlesResIndex (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesResIndex (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMolIndex
 30: [       OK ] SelectionCollectionDataTest.HandlesMolIndex (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAtomname
-30: [       OK ] SelectionCollectionDataTest.HandlesAtomname (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesAtomname (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPdbAtomname
 30: [       OK ] SelectionCollectionDataTest.HandlesPdbAtomname (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAtomtype
 30: [       OK ] SelectionCollectionDataTest.HandlesAtomtype (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesChain
-30: [       OK ] SelectionCollectionDataTest.HandlesChain (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesChain (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMass
-30: [       OK ] SelectionCollectionDataTest.HandlesMass (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesMass (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesCharge
 30: [       OK ] SelectionCollectionDataTest.HandlesCharge (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesAltLoc
 30: [       OK ] SelectionCollectionDataTest.HandlesAltLoc (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesInsertCode
-30: [       OK ] SelectionCollectionDataTest.HandlesInsertCode (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesInsertCode (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesOccupancy
 30: [       OK ] SelectionCollectionDataTest.HandlesOccupancy (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBeta
-30: [       OK ] SelectionCollectionDataTest.HandlesBeta (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesBeta (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesResname
 30: [       OK ] SelectionCollectionDataTest.HandlesResname (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesCoordinateKeywords
@@ -117873,15 +117942,15 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMinDistanceKeyword
 30: [       OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesWithinKeyword
-30: [       OK ] SelectionCollectionDataTest.HandlesWithinKeyword (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesWithinKeyword (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword
-30: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (10 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPermuteModifier
-30: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (2 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPermuteModifier (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPlusModifier
-30: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPlusModifier (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesMergeModifier
-30: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesMergeModifier (2 ms)
 30: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndCharges
 30: [       OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology
@@ -117897,29 +117966,29 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections
 30: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed
-30: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (9 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositions
 30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositions (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers
-30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesWithinConstantPositions
 30: [       OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges
-30: [       OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesOverlappingRealRanges
 30: [       OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode
-30: [       OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesWildcardMatching
 30: [       OK ] SelectionCollectionDataTest.HandlesWildcardMatching (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesRegexMatching
-30: [       OK ] SelectionCollectionDataTest.HandlesRegexMatching (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesRegexMatching (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBasicBoolean
-30: [       OK ] SelectionCollectionDataTest.HandlesBasicBoolean (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesBasicBoolean (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters
 30: [       OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions
-30: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame
 30: [       OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords
@@ -117939,28 +118008,28 @@
 30: [ RUN      ] SelectionCollectionDataTest.HandlesComplexNumericVariables
 30: [       OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariables
-30: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPositionVariables (8 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesPositionVariableInModifier
-30: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesConstantPositionInVariable
-30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables
-30: [       OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis
-30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables
 30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables
-30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (0 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (1 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesUnusedVariables
 30: [       OK ] SelectionCollectionDataTest.HandlesUnusedVariables (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups
-30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (1 ms)
+30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups
 30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (0 ms)
 30: [ RUN      ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2
-30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (0 ms)
-30: [----------] 66 tests from SelectionCollectionDataTest (25 ms total)
+30: [       OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (1 ms)
+30: [----------] 66 tests from SelectionCollectionDataTest (51 ms total)
 30: 
 30: [----------] 17 tests from SelectionOptionTest
 30: [ RUN      ] SelectionOptionTest.ParsesSimpleSelection
@@ -117997,11 +118066,11 @@
 30: [       OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms)
 30: [ RUN      ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster
 30: [       OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms)
-30: [----------] 17 tests from SelectionOptionTest (2 ms total)
+30: [----------] 17 tests from SelectionOptionTest (3 ms total)
 30: 
 30: [----------] 9 tests from SelectionFileOptionTest
 30: [ RUN      ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile
-30: [       OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (1 ms)
+30: [       OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions
 30: [       OK ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile
@@ -118015,24 +118084,24 @@
 30: [ RUN      ] SelectionFileOptionTest.GivesErrorWithNoFile
 30: [       OK ] SelectionFileOptionTest.GivesErrorWithNoFile (0 ms)
 30: [ RUN      ] SelectionFileOptionTest.GivesErrorWithNonExistentFile
-30: [       OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (0 ms)
+30: [       OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (1 ms)
 30: [ RUN      ] SelectionFileOptionTest.GivesErrorWithMultipleFiles
-30: [       OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (1 ms)
-30: [----------] 9 tests from SelectionFileOptionTest (2 ms total)
+30: [       OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (0 ms)
+30: [----------] 9 tests from SelectionFileOptionTest (1 ms total)
 30: 
 30: [----------] Global test environment tear-down
-30: [==========] 192 tests from 11 test cases ran. (128 ms total)
+30: [==========] 192 tests from 11 test cases ran. (175 ms total)
 30: [  PASSED  ] 192 tests.
-30/30 Test #30: SelectionUnitTests ...............   Passed    0.32 sec
+30/30 Test #30: SelectionUnitTests ...............   Passed    0.62 sec
 
 100% tests passed, 0 tests failed out of 30
 
 Label Time Summary:
-GTest       =   6.44 sec*proc (30 tests)
-MpiTest     =   0.63 sec*proc (3 tests)
-UnitTest    =   6.44 sec*proc (30 tests)
+GTest       =  13.64 sec*proc (30 tests)
+MpiTest     =   1.81 sec*proc (3 tests)
+UnitTest    =  13.64 sec*proc (30 tests)
 
-Total Test time (real) =   6.47 sec
+Total Test time (real) =  13.67 sec
 touch build-openmpi
 dh_testdir
 # Build speedy, stripped-down version just for documentation generation.
@@ -118281,185 +118350,185 @@
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-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
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+Scanning dependencies of target mdrun_objlib
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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 cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
+Scanning dependencies of target scanner
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/mdrun.cpp
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-Scanning dependencies of target scanner
-Scanning dependencies of target vmddlopen
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
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+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
+Scanning dependencies of target tng_io_obj
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color=
+Scanning dependencies of target tng_io_zlib
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-Scanning dependencies of target tng_io_obj
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/build
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
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 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/adler32.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/adler32.c
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
-/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
+Scanning dependencies of target lmfit_objlib
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/compress.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/compress.c
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/lmfit/lmmin.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/parser.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp
-/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c
+[  0%] Built target release-version-info
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/view_objlib.dir/view/view.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/programs/view/view.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
 Scanning dependencies of target thread_mpi
+Scanning dependencies of target linearalgebra
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/crc32.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/crc32.c
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 /usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
-Scanning dependencies of target modularsimulator
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-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
-[  0%] Built target release-version-info
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/compress.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/compress.c
-[  0%] Built target vmddlopen
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/crc32.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/crc32.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/deflate.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/deflate.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/coder.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/dict.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/inffast.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inflate.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/inflate.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp
-[  0%] Built target view_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inftrees.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/inftrees.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-[  0%] Built target lmfit_objlib
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/trees.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/trees.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/rle.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/uncompr.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/uncompr.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/zutil.c
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inftrees.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/inftrees.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/trees.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/trees.c
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/uncompr.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/uncompr.c
+[  0%] Built target lmfit_objlib
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib/zutil.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/alltoall.cpp
+Scanning dependencies of target modularsimulator
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-[  0%] Built target tng_io_zlib
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/p2p_protocol.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/barrier.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/p2p_send_recv.cpp
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/include -I/build/reproducible-path/gromacs-2020.6/build/documentation/tng/include -I/build/reproducible-path/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/reproducible-path/gromacs-2020.6/src/external/tng_io/src/lib/md5.c
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/selection/scanner.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  0%] Built target tng_io_zlib
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
+Scanning dependencies of target vmddlopen
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/collective.cpp
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  0%] Built target vmddlopen
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+Scanning dependencies of target view_objlib
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build
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 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/type.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/type.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/scan.cpp
-[  0%] Built target linearalgebra
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/numa_malloc.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/src/once.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  0%] Built target view_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  0%] Built target mdrun_objlib
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  3%] Built target thread_mpi
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  3%] Built target linearalgebra
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-[  0%] Built target scanner
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-[  3%] Built target thread_mpi
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  3%] Built target scanner
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/reproducible-path/gromacs-2020.6/build/documentation/src -I/build/reproducible-path/gromacs-2020.6/src -isystem /build/reproducible-path/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -fdebug-prefix-map=/build/reproducible-path/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp
@@ -119292,45 +119361,49 @@
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-/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend
-/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/depend
+/usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_zlib.dir/DependInfo.cmake --color=
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/CMakeFiles/release-version-info.dir/DependInfo.cmake --color=
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-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color=
 /usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build
+make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
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+[  0%] Built target mdrun_objlib
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-/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
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+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
+[  0%] Built target scanner
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_zlib.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  0%] Built target release-version-info
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 /usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color=
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-[  2%] Built target release-version-info
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+[  0%] Built target tng_io_zlib
 /usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
+[  2%] Built target tng_io_obj
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+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend
-/usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/depend
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color=
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs /build/reproducible-path/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-image-conversion.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs /build/reproducible-path/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake --color=
+make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
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-Scanning dependencies of target sphinx-image-conversion
-Scanning dependencies of target sphinx-input-rst
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+[  2%] Built target linearalgebra
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend
+[  5%] Built target thread_mpi
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend
+[  7%] Built target modularsimulator
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color=
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f docs/CMakeFiles/sphinx-image-conversion.dir/build.make docs/CMakeFiles/sphinx-image-conversion.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs /build/reproducible-path/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake --color=
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-/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs /build/reproducible-path/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-image-conversion.dir/DependInfo.cmake --color=
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-/usr/bin/make  -f docs/CMakeFiles/sphinx-image-conversion.dir/build.make docs/CMakeFiles/sphinx-image-conversion.dir/build
+/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build
+Scanning dependencies of target sphinx-input-rst
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-image-conversion-timestamp.txt
+Scanning dependencies of target sphinx-image-conversion
+/usr/bin/make  -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/build
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/reference-manual/plots/xvgr.png /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/xvgr.png
+/usr/bin/make  -f docs/CMakeFiles/sphinx-image-conversion.dir/build.make docs/CMakeFiles/sphinx-image-conversion.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -D VERSION_VARIABLES=/build/reproducible-path/gromacs-2020.6/build/documentation/VersionInfo.cmake -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/docs/conf-vars.py.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/conf-vars.py -D SPHINX_EXTENSION_PATH=/build/reproducible-path/gromacs-2020.6/docs -D RELENG_PATH= -D IMAGE_CONVERT_STRING=impossible -D EXPECTED_DOXYGEN_VERSION=1.8.5 -D EXPECTED_SPHINX_VERSION=1.6.1 -D CMAKE_MINIMUM_REQUIRED_VERSION=3.9.6 -D REQUIRED_CUDA_VERSION=9.0 -D REQUIRED_OPENCL_MIN_VERSION=1.2 -D REQUIRED_CUDA_COMPUTE_CAPABILITY=3.0 -D REGRESSIONTEST_VERSION=2020.6-Debian-2020.6-2 -D SOURCE_MD5SUM=unknown -D REGRESSIONTEST_MD5SUM_STRING=unknown -D GMX_TNG_MINIMUM_REQUIRED_VERSION=1.7.10 -D GMX_LMFIT_REQUIRED_VERSION=7.0 -D "GMX_MANUAL_DOI_STRING=This is not a release build of GROMACS, so please reference one of the GROMACS papers and the base release of the manual." -D "GMX_SOURCE_DOI_STRING=This is not a release build of GROMACS. Please reference one of the GROMACS papers, as well as the base release that this version is built from. Also, please state what modifcations have been performed or where the version was sourced from." -D GMXAPI_PYTHON_STAGING_DIR= -P /build/reproducible-path/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-image-conversion-timestamp.txt
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/index.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/index.rst
-[  4%] Built target modularsimulator
-[  4%] Built target linearalgebra
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[  7%] Built target vmddlopen
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/download.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/download.rst
-[  7%] Built target thread_mpi
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/conf.py /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/conf.py
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/conf-vars.py
 [  7%] Built target view_objlib
-[  7%] Built target vmddlopen
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/conf.py /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/conf.py
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
 [  7%] Built target sphinx-image-conversion
-cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/conf-vars.py
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/links.dat /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/links.dat
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/dev-manual/build-system.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/build-system.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/dev-manual/change-management.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/change-management.rst
@@ -119437,6 +119506,8 @@
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/dev-manual/reportstyle.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/reportstyle.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/dev-manual/style.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/style.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/dev-manual/testutils.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/testutils.rst
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color=
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/dev-manual/tools.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/tools.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/dev-manual/code-formatting.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/code-formatting.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/fragments/doxygen-links.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/fragments/doxygen-links.rst
@@ -119444,6 +119515,8 @@
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/how-to/beginners.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/beginners.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/how-to/topology.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/topology.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/how-to/special.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/special.rst
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/how-to/visualize.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/visualize.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/install-guide/index.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/install-guide/index.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/index.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/index.rst
@@ -119456,8 +119529,6 @@
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/highlights.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/highlights.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/features.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/features.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/performance.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/performance.rst
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color=
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/tools.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/tools.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/bugs-fixed.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/bugs-fixed.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/removed-functionality.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/removed-functionality.rst
@@ -119465,17 +119536,28 @@
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/portability.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/portability.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2020/major/miscellaneous.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/miscellaneous.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/2019.6.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.6.rst
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-/usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/2019.5.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.5.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/2019.4.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.4.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/2019.3.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.3.rst
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/libgromacs.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/2019.2.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.2.rst
+[ 83%] Built target libgromacs
+/usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake --color=
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/2019.1.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.1.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/major/highlights.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/highlights.rst
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+/usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/major/features.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/features.rst
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/major/performance.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/performance.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/major/tools.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/tools.rst
+[ 85%] Built target gmx
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/major/bugs-fixed.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/bugs-fixed.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/major/removed-functionality.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/removed-functionality.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2019/major/deprecated-functionality.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/deprecated-functionality.rst
@@ -119510,32 +119592,19 @@
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/2016/major/miscellaneous.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/miscellaneous.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/release-notes/older/index.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/older/index.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/cmdline.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/cmdline.rst
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/libgromacs.dir/build'.
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/deprecation-policy.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/deprecation-policy.rst
-[ 83%] Built target libgromacs
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/environment-variables.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/environment-variables.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/faq.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/faq.rst
-/usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/floating-point.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/floating-point.rst
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake --color=
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/flow.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/flow.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/force-fields.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/force-fields.rst
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/getting-started.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/getting-started.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/index.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/index.rst
-/usr/bin/make  -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/managing-simulations.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/managing-simulations.rst
-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx.dir/build'.
-make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/mdp-options.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/mdp-options.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/mdrun-features.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/mdrun-features.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/mdrun-performance.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/mdrun-performance.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/run-time-errors.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/run-time-errors.rst
-[ 85%] Built target gmx
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/security.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/security.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/system-preparation.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/system-preparation.rst
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/reproducible-path/gromacs-2020.6/docs/user-guide/terminology.rst /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/terminology.rst
@@ -119600,7 +119669,7 @@
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/sphinx-build -q -b man -w sphinx-man.log -d /build/reproducible-path/gromacs-2020.6/build/documentation/docs/_doctrees -t do_man /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input /build/reproducible-path/gromacs-2020.6/build/documentation/docs/man
 WARNING: html_static_path entry '_static' does not exist
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NewConnectionError('<urllib3.connection.HTTPSConnection object at 0xffff9a1e1400>: Failed to establish a new connection: [Errno -3] Temporary failure in name resolution'))
+intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NewConnectionError('<urllib3.connection.HTTPSConnection object at 0xffffa58fc3a0>: Failed to establish a new connection: [Errno -3] Temporary failure in name resolution'))
 /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/algorithms'
 /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/functions'
 /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/special'
@@ -119625,163 +119694,163 @@
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+/usr/bin/make  -f docs/manual/CMakeFiles/manual.dir/build.make docs/manual/CMakeFiles/manual.dir/depend
+Scanning dependencies of target doxygen-source-timestamp
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/manual /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/manual /build/reproducible-path/gromacs-2020.6/build/documentation/docs/manual/CMakeFiles/manual.dir/DependInfo.cmake --color=
 /usr/bin/make  -f docs/CMakeFiles/sphinx-image-conversion.dir/build.make docs/CMakeFiles/sphinx-image-conversion.dir/depend
-Scanning dependencies of target doxygen-source-timestamp
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/manual /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/manual /build/reproducible-path/gromacs-2020.6/build/documentation/docs/manual/CMakeFiles/manual.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color=
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/documentation/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/documentation/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
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+[  0%] Built target sphinx-image-conversion
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+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs /build/reproducible-path/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_zlib.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
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-make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
+make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-Cannot build PDF manual, because a working form of ImageMagick convert is not available
+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+[  7%] Built target modularsimulator
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+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen/CMakeFiles/doxygen-version.dir/DependInfo.cmake --color=
+[  7%] Built target view_objlib
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+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs /build/reproducible-path/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake --color=
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+Scanning dependencies of target doxygen-version
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+cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen && /usr/bin/cmake -D VERSION_VARIABLES=/build/reproducible-path/gromacs-2020.6/build/documentation/VersionInfo.cmake -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/docs/doxygen/Doxyfile-version.cmakein -D VERSION_OUT=Doxyfile-version -P /build/reproducible-path/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake
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-[  8%] Built target view_objlib
+cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen && /usr/bin/cmake -E touch Doxyfile-version
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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+/usr/bin/make  -f docs/CMakeFiles/sphinx-input.dir/build.make docs/CMakeFiles/sphinx-input.dir/build
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 [ 19%] Built target sphinx-input
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen/CMakeFiles/doxygen-xml.dir/DependInfo.cmake --color=
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@@ -119828,11 +119897,7 @@
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E make_directory /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/_static
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs && /usr/bin/sphinx-build -q -b html -w sphinx-html.log -d /build/reproducible-path/gromacs-2020.6/build/documentation/docs/_doctrees /build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input /build/reproducible-path/gromacs-2020.6/build/documentation/docs/html
 WARNING: failed to reach any of the inventories with the following issues:
-intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NewConnectionError('<urllib3.connection.HTTPSConnection object at 0xffffab5a50d0>: Failed to establish a new connection: [Errno -3] Temporary failure in name resolution'))
-/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/algorithms'
-/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/functions'
-/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/special'
-/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/analysis'
+intersphinx inventory 'https://docs.python.org/3/objects.inv' not fetchable due to <class 'requests.exceptions.ConnectionError'>: HTTPSConnectionPool(host='docs.python.org', port=443): Max retries exceeded with url: /3/objects.inv (Caused by NewConnectionError('<urllib3.connection.HTTPSConnection object at 0xffffb6171130>: Failed to establish a new connection: [Errno -3] Temporary failure in name resolution'))
 The following warnings were produced by Doxygen:
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 /build/reproducible-path/gromacs-2020.6/src/gromacs/mdlib/settle.cpp:861: warning: Reached end of file while still inside a (nested) comment. Nesting level 1 (probable line reference: 399)
@@ -119976,51 +120041,55 @@
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 [ 97%] Built target doxygen-xml
 /usr/bin/make  -f docs/doxygen/CMakeFiles/dep-graphs-dot.dir/build.make docs/doxygen/CMakeFiles/dep-graphs-dot.dir/depend
+make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 /usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-user.dir/build.make docs/doxygen/CMakeFiles/doxygen-user.dir/depend
+cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen/CMakeFiles/dep-graphs-dot.dir/DependInfo.cmake --color=
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen/CMakeFiles/dep-graphs-dot.dir/DependInfo.cmake --color=
-Scanning dependencies of target doxygen-user
 Scanning dependencies of target dep-graphs-dot
+Scanning dependencies of target doxygen-user
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+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-user.dir/build.make docs/doxygen/CMakeFiles/doxygen-user.dir/build
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 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen && /usr/bin/cmake -DDOCTYPE=user -P RunDoxygen.cmake
 NOTE: You are using Doxygen version 1.9.1. The documentation is designed for 1.8.5. Other versions may or may not work, but very likely produce extra warnings.
 Running Doxygen...
+Scanning source tree...
 warning: Tag 'MSCGEN_PATH' at line 36 of file 'Doxyfile-common' has become obsolete.
          To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u"
-Scanning source tree...
 Reading source files...
+/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/algorithms'
+/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/functions'
+/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/special'
+/build/reproducible-path/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst:13: WARNING: toctree contains reference to nonexisting document 'reference-manual/analysis'
 Reading Doxygen XML files...
 Writing graphs...
 cd /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen && /usr/bin/cmake -E touch /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen/dep-graphs-dot-timestamp.txt
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-/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-full.dir/build.make docs/doxygen/CMakeFiles/doxygen-full.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen/CMakeFiles/doxygen-lib.dir/DependInfo.cmake --color=
+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-full.dir/build.make docs/doxygen/CMakeFiles/doxygen-full.dir/depend
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
 cd /build/reproducible-path/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen /build/reproducible-path/gromacs-2020.6/build/documentation/docs/doxygen/CMakeFiles/doxygen-full.dir/DependInfo.cmake --color=
-Scanning dependencies of target doxygen-full
+Scanning dependencies of target doxygen-lib
 make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
-/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-full.dir/build.make docs/doxygen/CMakeFiles/doxygen-full.dir/build
+/usr/bin/make  -f docs/doxygen/CMakeFiles/doxygen-lib.dir/build.make docs/doxygen/CMakeFiles/doxygen-lib.dir/build
+Scanning dependencies of target doxygen-full
 make[4]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
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-Scanning dependencies of target doxygen-lib
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@@ -120063,10 +120132,10 @@
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+make[4]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/documentation'
+[ 98%] Built target webpage-sphinx
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-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
+[  6%] Built target tng_io_obj
+/usr/bin/make  -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build
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-make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'.
+make[3]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
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+make[3]: Nothing to be done for 'src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build'.
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+[  6%] Built target linearalgebra
+[  8%] Built target modularsimulator
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
+[  8%] Built target vmddlopen
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-make[3]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color=
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-[  3%] Built target modularsimulator
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/basic-dp'
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-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
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-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
-cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
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+make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
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+[  0%] Built target scanner
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-make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
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+cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs /build/reproducible-path/gromacs-2020.6/build/mpich/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
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-[  0%] Built target scanner
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
+make[3]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
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-[  1%] Built target thread_mpi
-[  2%] Built target mdrun_objlib
-[  2%] Built target linearalgebra
-[  5%] Built target tng_io_obj
-[  8%] Built target modularsimulator
-[  8%] Built target release-version-info
+[  4%] Built target tng_io_obj
+[  4%] Built target linearalgebra
+[  7%] Built target modularsimulator
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
+[  8%] Built target mdrun_objlib
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich'
 cd /build/reproducible-path/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs /build/reproducible-path/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color=
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich-dp /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
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-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich-dp /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/selection /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color=
-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
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+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
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-cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich-dp /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
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-make[3]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/mpich-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/mpich-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
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+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
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+make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
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-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/mpich-dp'
-cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/mpich-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/mpich-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
-/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
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-make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
+cd /build/reproducible-path/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich-dp /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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-[  0%] Built target scanner
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-[  1%] Built target lmfit_objlib
-[  2%] Built target mdrun_objlib
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-[  5%] Built target tng_io_obj
-[  8%] Built target modularsimulator
-[  8%] Built target release-version-info
+[  4%] Built target tng_io_obj
+[  4%] Built target linearalgebra
+[  7%] Built target modularsimulator
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
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+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend
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-cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
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+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi'
+[  0%] Built target scanner
+cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/openmpi/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/openmpi/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
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+cd /build/reproducible-path/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
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+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
 /usr/bin/make  -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
+make[3]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+/usr/bin/make  -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build
 cd /build/reproducible-path/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/reproducible-path/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/reproducible-path/gromacs-2020.6/build/openmpi-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/reproducible-path/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake
-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
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-make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
-/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
-/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-make[3]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
+/usr/bin/make  -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build
+make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'.
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
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 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+/usr/bin/make  -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build
 make[3]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
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-/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
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 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+[  0%] Built target scanner
+[  0%] Built target release-version-info
+[  0%] Built target lmfit_objlib
+[  1%] Built target thread_mpi
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend
+[  4%] Built target tng_io_obj
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-make[3]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
+/usr/bin/make  -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color=
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+make[3]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'.
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-[  0%] Built target scanner
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+/usr/bin/make  -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build
+cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/programs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/programs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color=
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 make[3]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-[  0%] Built target lmfit_objlib
-[  0%] Built target linearalgebra
-[  4%] Built target thread_mpi
-[  4%] Built target tng_io_obj
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
-[  5%] Built target mdrun_objlib
-[  8%] Built target modularsimulator
-[  8%] Built target release-version-info
+/usr/bin/make  -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build
+make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+make[3]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'.
+make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
+[  4%] Built target linearalgebra
+[  7%] Built target modularsimulator
 /usr/bin/make  -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend
+[  8%] Built target mdrun_objlib
 make[3]: Entering directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
 cd /build/reproducible-path/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/gromacs-2020.6 /build/reproducible-path/gromacs-2020.6/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/reproducible-path/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color=
 make[3]: Leaving directory '/build/reproducible-path/gromacs-2020.6/build/openmpi-dp'
@@ -130579,13 +130648,13 @@
 dh_md5sums -a
 dh_builddeb -a
 dpkg-deb: building package 'gromacs' in '../gromacs_2020.6-2_arm64.deb'.
-dpkg-deb: building package 'gromacs-dbgsym' in '../gromacs-dbgsym_2020.6-2_arm64.deb'.
 dpkg-deb: building package 'libgromacs5' in '../libgromacs5_2020.6-2_arm64.deb'.
+dpkg-deb: building package 'gromacs-mpich-dbgsym' in '../gromacs-mpich-dbgsym_2020.6-2_arm64.deb'.
 dpkg-deb: building package 'libgromacs5-dbgsym' in '../libgromacs5-dbgsym_2020.6-2_arm64.deb'.
-dpkg-deb: building package 'gromacs-openmpi' in '../gromacs-openmpi_2020.6-2_arm64.deb'.
-dpkg-deb: building package 'libgromacs-dev' in '../libgromacs-dev_2020.6-2_arm64.deb'.
 dpkg-deb: building package 'gromacs-mpich' in '../gromacs-mpich_2020.6-2_arm64.deb'.
-dpkg-deb: building package 'gromacs-mpich-dbgsym' in '../gromacs-mpich-dbgsym_2020.6-2_arm64.deb'.
+dpkg-deb: building package 'libgromacs-dev' in '../libgromacs-dev_2020.6-2_arm64.deb'.
+dpkg-deb: building package 'gromacs-openmpi' in '../gromacs-openmpi_2020.6-2_arm64.deb'.
+dpkg-deb: building package 'gromacs-dbgsym' in '../gromacs-dbgsym_2020.6-2_arm64.deb'.
 dpkg-deb: building package 'gromacs-openmpi-dbgsym' in '../gromacs-openmpi-dbgsym_2020.6-2_arm64.deb'.
  dpkg-genbuildinfo --build=binary
  dpkg-genchanges --build=binary >../gromacs_2020.6-2_arm64.changes
@@ -130594,12 +130663,14 @@
 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/934917/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/934917/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/463863 and its subdirectories
-I: Current time: Fri Feb  2 12:16:27 -12 2024
-I: pbuilder-time-stamp: 1706919387
+I: removing directory /srv/workspace/pbuilder/934917 and its subdirectories
+I: Current time: Fri Mar  7 21:58:54 +14 2025
+I: pbuilder-time-stamp: 1741334334