Diff of the two buildlogs:

--
--- b1/build.log	2025-03-16 18:37:54.813179448 +0000
+++ b2/build.log	2025-03-16 18:40:46.897420721 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Sat Apr 18 12:59:42 -12 2026
-I: pbuilder-time-stamp: 1776560382
+I: Current time: Mon Mar 17 08:37:58 +14 2025
+I: pbuilder-time-stamp: 1742150278
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz]
 I: copying local configuration
@@ -25,54 +25,86 @@
 dpkg-source: info: applying cmake_version_tag.patch
 I: using fakeroot in build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/127220/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/50196/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos12-i386.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Mar 16 18:38 /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/50196/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/50196/tmp/hooks/D02_print_environment starting
 I: set
-  BUILDDIR='/build/reproducible-path'
-  BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
-  BUILDUSERNAME='pbuilder1'
-  BUILD_ARCH='i386'
-  DEBIAN_FRONTEND='noninteractive'
-  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=22 '
-  DISTRIBUTION='trixie'
-  HOME='/root'
-  HOST_ARCH='i386'
+  BASH=/bin/sh
+  BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+  BASH_ALIASES=()
+  BASH_ARGC=()
+  BASH_ARGV=()
+  BASH_CMDS=()
+  BASH_LINENO=([0]="12" [1]="0")
+  BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+  BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+  BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="i686-pc-linux-gnu")
+  BASH_VERSION='5.2.37(1)-release'
+  BUILDDIR=/build/reproducible-path
+  BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+  BUILDUSERNAME=pbuilder2
+  BUILD_ARCH=i386
+  DEBIAN_FRONTEND=noninteractive
+  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=10 '
+  DIRSTACK=()
+  DISTRIBUTION=trixie
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=i686
+  HOST_ARCH=i386
   IFS=' 	
   '
-  INVOCATION_ID='a7ff4505f6eb48a392f958431496f7f1'
-  LANG='C'
-  LANGUAGE='en_US:en'
-  LC_ALL='C'
-  LD_LIBRARY_PATH='/usr/lib/libeatmydata'
-  LD_PRELOAD='libeatmydata.so'
-  MAIL='/var/mail/root'
-  OPTIND='1'
-  PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
-  PBCURRENTCOMMANDLINEOPERATION='build'
-  PBUILDER_OPERATION='build'
-  PBUILDER_PKGDATADIR='/usr/share/pbuilder'
-  PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
-  PBUILDER_SYSCONFDIR='/etc'
-  PPID='127220'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=238394fbfb5a4ef78cdbd46a5578ba92
+  LANG=C
+  LANGUAGE=de_CH:de
+  LC_ALL=C
+  LD_LIBRARY_PATH=/usr/lib/libeatmydata
+  LD_PRELOAD=libeatmydata.so
+  MACHTYPE=i686-pc-linux-gnu
+  MAIL=/var/mail/root
+  OPTERR=1
+  OPTIND=1
+  OSTYPE=linux-gnu
+  PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+  PBCURRENTCOMMANDLINEOPERATION=build
+  PBUILDER_OPERATION=build
+  PBUILDER_PKGDATADIR=/usr/share/pbuilder
+  PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+  PBUILDER_SYSCONFDIR=/etc
+  PIPESTATUS=([0]="0")
+  POSIXLY_CORRECT=y
+  PPID=50196
   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.veehqCCV/pbuilderrc_OJCw --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.veehqCCV/b1 --logfile b1/build.log libmbd_0.12.8-2.dsc'
-  SUDO_GID='112'
-  SUDO_UID='107'
-  SUDO_USER='jenkins'
-  TERM='unknown'
-  TZ='/usr/share/zoneinfo/Etc/GMT+12'
-  USER='root'
-  _='/usr/bin/systemd-run'
-  http_proxy='http://213.165.73.152:3128'
+  PWD=/
+  SHELL=/bin/bash
+  SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+  SHLVL=3
+  SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.veehqCCV/pbuilderrc_Kffb --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.veehqCCV/b2 --logfile b2/build.log libmbd_0.12.8-2.dsc'
+  SUDO_GID=112
+  SUDO_UID=107
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
+  http_proxy=http://46.16.76.132:3128
 I: uname -a
-  Linux ionos6-i386 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux
+  Linux i-capture-the-hostname 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux
 I: ls -l /bin
-  lrwxrwxrwx 1 root root 7 Mar  4  2025 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/127220/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 Mar  4 11:20 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/50196/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -217,7 +249,7 @@
 Get: 93 http://deb.debian.org/debian trixie/main i386 mpich i386 4.2.1-5 [236 kB]
 Get: 94 http://deb.debian.org/debian trixie/main i386 libmpich-dev i386 4.2.1-5 [2503 kB]
 Get: 95 http://deb.debian.org/debian trixie/main i386 mpi-default-dev i386 1.18 [3372 B]
-Fetched 76.3 MB in 1s (64.2 MB/s)
+Fetched 76.3 MB in 1s (52.5 MB/s)
 Preconfiguring packages ...
 Selecting previously unselected package libpython3.13-minimal:i386.
 (Reading database ... 
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19789 files and directories currently installed.)
@@ -537,8 +569,8 @@
 Setting up tzdata (2025a-2) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Sun Apr 19 01:00:04 UTC 2026.
-Universal Time is now:  Sun Apr 19 01:00:04 UTC 2026.
+Local time is now:      Sun Mar 16 18:38:38 UTC 2025.
+Universal Time is now:  Sun Mar 16 18:38:38 UTC 2025.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up autotools-dev (20220109.1) ...
@@ -638,7 +670,11 @@
 fakeroot is already the newest version (1.37-1).
 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
 I: Building the package
-I: Running cd /build/reproducible-path/libmbd-0.12.8/ && 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  > ../libmbd_0.12.8-2_source.changes
+I: user script /srv/workspace/pbuilder/50196/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for trixie
+I: user script /srv/workspace/pbuilder/50196/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/libmbd-0.12.8/ && 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  > ../libmbd_0.12.8-2_source.changes
 dpkg-buildpackage: info: source package libmbd
 dpkg-buildpackage: info: source version 0.12.8-2
 dpkg-buildpackage: info: source distribution unstable
@@ -685,8 +721,8 @@
 -- Looking for Fortran cheev
 -- Looking for Fortran cheev - found
 -- Found LAPACK: /usr/lib/i386-linux-gnu/liblapack.so;/usr/lib/i386-linux-gnu/libblas.so
--- Configuring done (2.6s)
--- Generating done (0.0s)
+-- Configuring done (3.7s)
+-- Generating done (0.1s)
 CMake Warning:
   Manually-specified variables were not used by the project:
 
@@ -698,7 +734,7 @@
 -- Build files have been written to: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu
 make[1]: Leaving directory '/build/reproducible-path/libmbd-0.12.8'
    dh_auto_build -O--buildsystem=cmake
-	cd obj-i686-linux-gnu && make -j22 "INSTALL=install --strip-program=true" VERBOSE=1
+	cd obj-i686-linux-gnu && make -j10 "INSTALL=install --strip-program=true" VERBOSE=1
 make[1]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 /usr/bin/cmake -S/build/reproducible-path/libmbd-0.12.8 -B/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu//CMakeFiles/progress.marks
@@ -713,19 +749,19 @@
 make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 make  -f src/CMakeFiles/mbd.dir/build.make src/CMakeFiles/mbd.dir/build
 make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
-[  7%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_constants.f90.o
+[  3%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_constants.f90.o
 [  7%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_version.f90.o
-cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/mbd_version.f90 -o CMakeFiles/mbd.dir/mbd_version.f90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_constants.f90 -o CMakeFiles/mbd.dir/mbd_constants.f90.o
-/usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_version.mod src/CMakeFiles/mbd.dir/mbd_version.mod.stamp GNU
+cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/mbd_version.f90 -o CMakeFiles/mbd.dir/mbd_version.f90.o
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_constants.mod src/CMakeFiles/mbd.dir/mbd_constants.mod.stamp GNU
-/usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_version.f90.o.provides.build
+/usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_version.mod src/CMakeFiles/mbd.dir/mbd_version.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_constants.f90.o.provides.build
-[ 14%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_defaults.f90.o
+/usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_version.f90.o.provides.build
+[ 10%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_defaults.f90.o
 [ 14%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_gradients.f90.o
+cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_defaults.f90 -o CMakeFiles/mbd.dir/mbd_defaults.f90.o
 [ 17%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_linalg.F90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_gradients.f90 -o CMakeFiles/mbd.dir/mbd_gradients.f90.o
-cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_defaults.f90 -o CMakeFiles/mbd.dir/mbd_defaults.f90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_linalg.F90 -o CMakeFiles/mbd.dir/mbd_linalg.F90.o
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_defaults.mod src/CMakeFiles/mbd.dir/mbd_defaults.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_defaults.f90.o.provides.build
@@ -737,14 +773,14 @@
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_utils.F90 -o CMakeFiles/mbd.dir/mbd_utils.F90.o
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_utils.mod src/CMakeFiles/mbd.dir/mbd_utils.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_utils.F90.o.provides.build
-[ 32%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_lapack.f90.o
-[ 32%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_damping.F90.o
-[ 35%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_vdw_param.f90.o
-[ 35%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_formulas.f90.o
+[ 25%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_damping.F90.o
+[ 28%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_formulas.f90.o
+[ 32%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_vdw_param.f90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_damping.F90 -o CMakeFiles/mbd.dir/mbd_damping.F90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_formulas.f90 -o CMakeFiles/mbd.dir/mbd_formulas.f90.o
-cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_lapack.f90 -o CMakeFiles/mbd.dir/mbd_lapack.f90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_vdw_param.f90 -o CMakeFiles/mbd.dir/mbd_vdw_param.f90.o
+[ 35%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_lapack.f90.o
+cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_lapack.f90 -o CMakeFiles/mbd.dir/mbd_lapack.f90.o
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_vdw_param.mod src/CMakeFiles/mbd.dir/mbd_vdw_param.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_vdw_param.f90.o.provides.build
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_damping.mod src/CMakeFiles/mbd.dir/mbd_damping.mod.stamp GNU
@@ -784,9 +820,9 @@
 Warning: Unused dummy argument 'clock' at (1) [-Wunused-dummy-argument]
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_geom.mod src/CMakeFiles/mbd.dir/mbd_geom.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_geom.F90.o.provides.build
-[ 50%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_density.f90.o
-[ 50%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_ts.F90.o
+[ 46%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_ts.F90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_ts.F90 -o CMakeFiles/mbd.dir/mbd_ts.F90.o
+[ 50%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_density.f90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_density.f90 -o CMakeFiles/mbd.dir/mbd_density.f90.o
 /build/reproducible-path/libmbd-0.12.8/src/mbd_density.f90:46:68:
 
@@ -848,14 +884,14 @@
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_dipole.F90 -o CMakeFiles/mbd.dir/mbd_dipole.F90.o
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_dipole.mod src/CMakeFiles/mbd.dir/mbd_dipole.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_dipole.F90.o.provides.build
-[ 64%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_rpa.F90.o
-[ 64%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_scs.f90.o
-[ 64%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_coulomb.f90.o
-[ 67%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_hamiltonian.F90.o
+[ 57%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_hamiltonian.F90.o
+[ 60%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_rpa.F90.o
+cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_hamiltonian.F90 -o CMakeFiles/mbd.dir/mbd_hamiltonian.F90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_rpa.F90 -o CMakeFiles/mbd.dir/mbd_rpa.F90.o
-cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_scs.f90 -o CMakeFiles/mbd.dir/mbd_scs.f90.o
+[ 64%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_coulomb.f90.o
+[ 67%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_scs.f90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_coulomb.f90 -o CMakeFiles/mbd.dir/mbd_coulomb.f90.o
-cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_hamiltonian.F90 -o CMakeFiles/mbd.dir/mbd_hamiltonian.F90.o
+cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_scs.f90 -o CMakeFiles/mbd.dir/mbd_scs.f90.o
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_rpa.mod src/CMakeFiles/mbd.dir/mbd_rpa.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_rpa.F90.o.provides.build
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_scs.mod src/CMakeFiles/mbd.dir/mbd_scs.mod.stamp GNU
@@ -898,10 +934,10 @@
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_coulomb.f90.o.provides.build
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd_methods.mod src/CMakeFiles/mbd.dir/mbd_methods.mod.stamp GNU
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_methods.F90.o.provides.build
-[ 78%] Building Fortran object src/CMakeFiles/mbd.dir/mbd.F90.o
+[ 75%] Building Fortran object src/CMakeFiles/mbd.dir/mbd.F90.o
+cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd.F90 -o CMakeFiles/mbd.dir/mbd.F90.o
 [ 78%] Building Fortran object src/CMakeFiles/mbd.dir/mbd_c_api.F90.o
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd_c_api.F90 -o CMakeFiles/mbd.dir/mbd_c_api.F90.o
-cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/f95  -I/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src/modules -g -O2 -ffile-prefix-map=/build/reproducible-path/libmbd-0.12.8=. -fstack-protector-strong -fall-intrinsics -std=f2008ts -pedantic -Wall -Wcharacter-truncation -Wimplicit-procedure -Wextra -Wno-maybe-uninitialized -O3 -Jmodules -c /build/reproducible-path/libmbd-0.12.8/src/mbd.F90 -o CMakeFiles/mbd.dir/mbd.F90.o
 /build/reproducible-path/libmbd-0.12.8/src/mbd_c_api.F90:54:23:
 
    54 |     max_atoms_per_block, ewald_cutoff_scaling &
@@ -911,8 +947,8 @@
 /usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd_c_api.F90.o.provides.build
 /usr/bin/cmake -E cmake_copy_f90_mod src/modules/mbd.mod src/CMakeFiles/mbd.dir/mbd.mod.stamp GNU
 [ 82%] Linking Fortran static library libmbd.a
-/usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd.F90.o.provides.build
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/cmake -P CMakeFiles/mbd.dir/cmake_clean_target.cmake
+/usr/bin/cmake -E touch src/CMakeFiles/mbd.dir/mbd.F90.o.provides.build
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/mbd.dir/link.txt --verbose=1
 /usr/bin/ar qc libmbd.a CMakeFiles/mbd.dir/mbd.F90.o CMakeFiles/mbd.dir/mbd_constants.f90.o CMakeFiles/mbd.dir/mbd_coulomb.f90.o CMakeFiles/mbd.dir/mbd_damping.F90.o CMakeFiles/mbd.dir/mbd_density.f90.o CMakeFiles/mbd.dir/mbd_defaults.f90.o CMakeFiles/mbd.dir/mbd_dipole.F90.o CMakeFiles/mbd.dir/mbd_formulas.f90.o CMakeFiles/mbd.dir/mbd_geom.F90.o CMakeFiles/mbd.dir/mbd_gradients.f90.o CMakeFiles/mbd.dir/mbd_hamiltonian.F90.o CMakeFiles/mbd.dir/mbd_lapack.f90.o CMakeFiles/mbd.dir/mbd_linalg.F90.o CMakeFiles/mbd.dir/mbd_matrix.F90.o CMakeFiles/mbd.dir/mbd_methods.F90.o CMakeFiles/mbd.dir/mbd_rpa.F90.o CMakeFiles/mbd.dir/mbd_scs.f90.o CMakeFiles/mbd.dir/mbd_ts.F90.o CMakeFiles/mbd.dir/mbd_utils.F90.o CMakeFiles/mbd.dir/mbd_version.f90.o CMakeFiles/mbd.dir/mbd_vdw_param.f90.o CMakeFiles/mbd.dir/mbd_c_api.F90.o
 /usr/bin/ranlib libmbd.a
@@ -924,16 +960,16 @@
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libmbd-0.12.8 /build/reproducible-path/libmbd-0.12.8/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_grad_tests.dir/DependInfo.cmake "--color="
 make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libmbd-0.12.8 /build/reproducible-path/libmbd-0.12.8/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/DependInfo.cmake "--color="
-Dependee "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/depend.internal".
-Dependee "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/depend.internal".
 Dependee "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_grad_tests.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_grad_tests.dir/depend.internal".
 Dependee "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_grad_tests.dir/depend.internal".
+Dependee "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/depend.internal".
+Dependee "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/depend.internal".
 Scanning dependencies of target mbd_api_tests
 make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
-make  -f tests/CMakeFiles/mbd_api_tests.dir/build.make tests/CMakeFiles/mbd_api_tests.dir/build
-make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 Scanning dependencies of target mbd_grad_tests
+make  -f tests/CMakeFiles/mbd_api_tests.dir/build.make tests/CMakeFiles/mbd_api_tests.dir/build
 make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
+make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 make  -f tests/CMakeFiles/mbd_grad_tests.dir/build.make tests/CMakeFiles/mbd_grad_tests.dir/build
 make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 [ 85%] Building Fortran object tests/CMakeFiles/mbd_api_tests.dir/mbd_api_tests.F90.o
@@ -958,10 +994,10 @@
 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/CMakeFiles 0
 make[1]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
    dh_auto_test -O--buildsystem=cmake
-	cd obj-i686-linux-gnu && make -j22 test ARGS\+=--verbose ARGS\+=-j22
+	cd obj-i686-linux-gnu && make -j10 test ARGS\+=--verbose ARGS\+=-j10
 make[1]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 Running tests...
-/usr/bin/ctest --force-new-ctest-process --verbose -j22
+/usr/bin/ctest --force-new-ctest-process --verbose -j10
 UpdateCTestConfiguration  from :/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/DartConfiguration.tcl
 Parse Config file:/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/DartConfiguration.tcl
 UpdateCTestConfiguration  from :/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/DartConfiguration.tcl
@@ -1034,6 +1070,28 @@
 10: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "scs_deriv_expl"
 10: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 10: Test timeout computed to be: 1500
+1: diff: 0.191E-10, threshold: 0.100E-09: 
+2: diff: 0.164E-11, threshold: 0.100E-09: 
+3: diff: 0.232E-12, threshold: 0.100E-09: 
+4: diff: 0.181E-12, threshold: 0.100E-09: 
+5: diff: 0.184E-09, threshold: 0.100E-08: 
+6:  Frequency grid relative error: 0.12419844840072525E-009                          
+6:  Will use parallel mode: atoms     
+6: diff: 0.246E-08, threshold: 0.100E-07: 
+7:  Frequency grid relative error: 0.12419844840072525E-009                          
+7:  Will use parallel mode: atoms     
+8:  Frequency grid relative error: 0.12419844840072525E-009                          
+8:  Will use parallel mode: atoms     
+9:  Frequency grid relative error: 0.12419844840072525E-009                          
+9:  Will use parallel mode: atoms     
+ 1/42 Test  #1: grad/T_bare_deriv .......................   Passed    0.29 sec
+ 2/42 Test  #2: grad/T_GG_deriv_expl ....................   Passed    0.20 sec
+ 3/42 Test  #3: grad/T_GG_deriv_impl ....................   Passed    0.20 sec
+ 4/42 Test  #4: grad/T_fermi_deriv_impl .................   Passed    0.20 sec
+ 5/42 Test  #5: grad/T_erfc_deriv_expl ..................   Passed    0.18 sec
+ 6/42 Test  #6: grad/mbd_deriv_expl .....................   Passed    0.17 sec
+10:  Frequency grid relative error: 0.12419844840072525E-009                          
+10:  Will use parallel mode: atoms     
 test 11
       Start 11: grad/scs_ewald_deriv_expl
 
@@ -1070,6 +1128,34 @@
 16: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "mbd_ewald_deriv_impl_omega"
 16: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 16: Test timeout computed to be: 1500
+10: diff: 0.228E-05, threshold: 0.100E-04: 
+8: diff: 0.757E-06, threshold: 0.100E-05: 
+7: diff: 0.324E-08, threshold: 0.200E-07: 
+9: diff: 0.525E-05, threshold: 0.100E-04: 
+11:  Frequency grid relative error: 0.12419844840072525E-009                          
+11:  Will use parallel mode: atoms     
+11: diff: 0.537E-05, threshold: 0.100E-04: 
+12:  Frequency grid relative error: 0.12419844840072525E-009                          
+12:  Will use parallel mode: atoms     
+12: diff: 0.279E-04, threshold: 0.100E-03: 
+13:  Frequency grid relative error: 0.12419844840072525E-009                          
+13:  Will use parallel mode: atoms     
+13: diff: 0.685E-10, threshold: 0.100E-05: 
+14:  Frequency grid relative error: 0.12419844840072525E-009                          
+14:  Will use parallel mode: atoms     
+15:  Frequency grid relative error: 0.12419844840072525E-009                          
+15:  Will use parallel mode: atoms     
+15: diff: 0.392E-08, threshold: 0.200E-07: 
+ 7/42 Test  #7: grad/mbd_ewald_deriv_expl ...............   Passed    0.57 sec
+ 8/42 Test  #8: grad/mbd_ewald_deriv_impl_q .............   Passed    0.57 sec
+ 9/42 Test  #9: grad/mbd_ewald_deriv_stress .............   Passed    0.42 sec
+10/42 Test #10: grad/scs_deriv_expl .....................   Passed    0.42 sec
+11/42 Test #11: grad/scs_ewald_deriv_expl ...............   Passed    0.41 sec
+12/42 Test #12: grad/scs_ewald_deriv_stress .............   Passed    0.41 sec
+13/42 Test #13: grad/mbd_deriv_impl_alpha ...............   Passed    0.40 sec
+14/42 Test #15: grad/mbd_deriv_impl_omega ...............   Passed    0.19 sec
+16:  Frequency grid relative error: 0.12419844840072525E-009                          
+16:  Will use parallel mode: atoms     
 test 17
       Start 17: grad/mbd_deriv_impl_vdw
 
@@ -1106,42 +1192,20 @@
 22: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "mbd_rsscs_deriv_impl_alpha"
 22: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 22: Test timeout computed to be: 1500
-1: diff: 0.191E-10, threshold: 0.100E-09: 
-2: diff: 0.164E-11, threshold: 0.100E-09: 
-3: diff: 0.232E-12, threshold: 0.100E-09: 
-4: diff: 0.181E-12, threshold: 0.100E-09: 
-5: diff: 0.184E-09, threshold: 0.100E-08: 
-6:  Frequency grid relative error: 0.12419844840072525E-009                          
-6:  Will use parallel mode: atoms     
-6: diff: 0.246E-08, threshold: 0.100E-07: 
-7:  Frequency grid relative error: 0.12419844840072525E-009                          
-7:  Will use parallel mode: atoms     
-7: diff: 0.324E-08, threshold: 0.200E-07: 
-8:  Frequency grid relative error: 0.12419844840072525E-009                          
-8:  Will use parallel mode: atoms     
-8: diff: 0.757E-06, threshold: 0.100E-05: 
-9:  Frequency grid relative error: 0.12419844840072525E-009                          
-9:  Will use parallel mode: atoms     
-10:  Frequency grid relative error: 0.12419844840072525E-009                          
-10:  Will use parallel mode: atoms     
-10: diff: 0.228E-05, threshold: 0.100E-04: 
-11:  Frequency grid relative error: 0.12419844840072525E-009                          
-11:  Will use parallel mode: atoms     
-11: diff: 0.537E-05, threshold: 0.100E-04: 
-12:  Frequency grid relative error: 0.12419844840072525E-009                          
-12:  Will use parallel mode: atoms     
-12: diff: 0.279E-04, threshold: 0.100E-03: 
-13:  Frequency grid relative error: 0.12419844840072525E-009                          
-13:  Will use parallel mode: atoms     
-13: diff: 0.685E-10, threshold: 0.100E-05: 
-14:  Frequency grid relative error: 0.12419844840072525E-009                          
-14:  Will use parallel mode: atoms     
+test 23
+      Start 23: grad/mbd_rsscs_deriv_impl_C6
+
+23: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "mbd_rsscs_deriv_impl_C6"
+23: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
+23: Test timeout computed to be: 1500
+test 24
+      Start 24: grad/mbd_rsscs_deriv_impl_vdw
+
+24: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "mbd_rsscs_deriv_impl_vdw"
+24: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
+24: Test timeout computed to be: 1500
+16: diff: 0.188E-08, threshold: 0.200E-07: 
 14: diff: 0.582E-11, threshold: 0.100E-05: 
-15:  Frequency grid relative error: 0.12419844840072525E-009                          
-15:  Will use parallel mode: atoms     
-15: diff: 0.392E-08, threshold: 0.200E-07: 
-16:  Frequency grid relative error: 0.12419844840072525E-009                          
-16:  Will use parallel mode: atoms     
 17:  Frequency grid relative error: 0.12419844840072525E-009                          
 17:  Will use parallel mode: atoms     
 17: diff: 0.539E-09, threshold: 0.100E-07: 
@@ -1150,46 +1214,26 @@
 18: diff: 0.930E-10, threshold: 0.100E-07: 
 19:  Frequency grid relative error: 0.12419844840072525E-009                          
 19:  Will use parallel mode: atoms     
+19: diff: 0.105E-08, threshold: 0.100E-07: 
 20:  Frequency grid relative error: 0.12419844840072525E-009                          
 20:  Will use parallel mode: atoms     
 21:  Frequency grid relative error: 0.12419844840072525E-009                          
 21:  Will use parallel mode: atoms     
- 1/42 Test  #1: grad/T_bare_deriv .......................   Passed    0.03 sec
- 2/42 Test  #2: grad/T_GG_deriv_expl ....................   Passed    0.03 sec
- 3/42 Test  #3: grad/T_GG_deriv_impl ....................   Passed    0.03 sec
- 4/42 Test  #4: grad/T_fermi_deriv_impl .................   Passed    0.03 sec
- 5/42 Test  #5: grad/T_erfc_deriv_expl ..................   Passed    0.03 sec
- 6/42 Test  #6: grad/mbd_deriv_expl .....................   Passed    0.03 sec
- 7/42 Test  #7: grad/mbd_ewald_deriv_expl ...............   Passed    0.03 sec
- 8/42 Test  #8: grad/mbd_ewald_deriv_impl_q .............   Passed    0.02 sec
- 9/42 Test #10: grad/scs_deriv_expl .....................   Passed    0.02 sec
-10/42 Test #11: grad/scs_ewald_deriv_expl ...............   Passed    0.02 sec
-11/42 Test #12: grad/scs_ewald_deriv_stress .............   Passed    0.02 sec
-12/42 Test #13: grad/mbd_deriv_impl_alpha ...............   Passed    0.02 sec
-13/42 Test #14: grad/mbd_ewald_deriv_impl_alpha .........   Passed    0.02 sec
-14/42 Test #15: grad/mbd_deriv_impl_omega ...............   Passed    0.02 sec
-15/42 Test #17: grad/mbd_deriv_impl_vdw .................   Passed    0.01 sec
-16: diff: 0.188E-08, threshold: 0.200E-07: 
-16/42 Test #16: grad/mbd_ewald_deriv_impl_omega .........   Passed    0.02 sec
-17/42 Test #18: grad/mbd_ewald_deriv_impl_vdw ...........   Passed    0.01 sec
-19: diff: 0.105E-08, threshold: 0.100E-07: 
-18/42 Test #19: grad/mbd_rsscs_deriv_expl ...............   Passed    0.01 sec
 22:  Frequency grid relative error: 0.12419844840072525E-009                          
 22:  Will use parallel mode: atoms     
 22: diff: 0.404E-07, threshold: 0.100E-06: 
-19/42 Test #22: grad/mbd_rsscs_deriv_impl_alpha .........   Passed    0.01 sec
-test 23
-      Start 23: grad/mbd_rsscs_deriv_impl_C6
-
-23: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "mbd_rsscs_deriv_impl_C6"
-23: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
-23: Test timeout computed to be: 1500
-test 24
-      Start 24: grad/mbd_rsscs_deriv_impl_vdw
-
-24: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "mbd_rsscs_deriv_impl_vdw"
-24: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
-24: Test timeout computed to be: 1500
+23:  Frequency grid relative error: 0.12419844840072525E-009                          
+23:  Will use parallel mode: atoms     
+23: diff: 0.309E-08, threshold: 0.500E-07: 
+15/42 Test #14: grad/mbd_ewald_deriv_impl_alpha .........   Passed    0.68 sec
+16/42 Test #16: grad/mbd_ewald_deriv_impl_omega .........   Passed    0.30 sec
+17/42 Test #17: grad/mbd_deriv_impl_vdw .................   Passed    0.29 sec
+18/42 Test #18: grad/mbd_ewald_deriv_impl_vdw ...........   Passed    0.29 sec
+19/42 Test #19: grad/mbd_rsscs_deriv_expl ...............   Passed    0.28 sec
+20/42 Test #22: grad/mbd_rsscs_deriv_impl_alpha .........   Passed    0.24 sec
+21/42 Test #23: grad/mbd_rsscs_deriv_impl_C6 ............   Passed    0.24 sec
+24:  Frequency grid relative error: 0.12419844840072525E-009                          
+24:  Will use parallel mode: atoms     
 test 25
       Start 25: grad/mbd_rsscs_ewald_deriv_impl_alpha
 
@@ -1232,6 +1276,25 @@
 31: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "ts_deriv_impl_alpha"
 31: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 31: Test timeout computed to be: 1500
+24: diff: 0.785E-10, threshold: 0.100E-07: 
+25:  Frequency grid relative error: 0.12419844840072525E-009                          
+25:  Will use parallel mode: atoms     
+26:  Frequency grid relative error: 0.12419844840072525E-009                          
+26:  Will use parallel mode: atoms     
+27:  Frequency grid relative error: 0.12419844840072525E-009                          
+27:  Will use parallel mode: atoms     
+28:  Frequency grid relative error: 0.12419844840072525E-009                          
+28:  Will use parallel mode: atoms     
+28: diff: 0.816E-12, threshold: 0.100E-07: 
+29:  Frequency grid relative error: 0.12419844840072525E-009                          
+29:  Will use parallel mode: atoms     
+30:  Frequency grid relative error: 0.12419844840072525E-009                          
+30:  Will use parallel mode: atoms     
+31:  Frequency grid relative error: 0.12419844840072525E-009                          
+31:  Will use parallel mode: atoms     
+31: diff: 0.646E-11, threshold: 0.100E-06: 
+22/42 Test #24: grad/mbd_rsscs_deriv_impl_vdw ...........   Passed    0.24 sec
+23/42 Test #28: grad/ts_deriv_expl ......................   Passed    0.11 sec
 test 32
       Start 32: grad/ts_deriv_impl_C6
 
@@ -1244,6 +1307,17 @@
 33: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_grad_tests "ts_deriv_impl_vdw"
 33: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 33: Test timeout computed to be: 1500
+29: diff: 0.436E-10, threshold: 0.100E-07: 
+32:  Frequency grid relative error: 0.12419844840072525E-009                          
+32:  Will use parallel mode: atoms     
+32: diff: 0.162E-11, threshold: 0.500E-07: 
+24/42 Test #29: grad/ts_ewald_deriv_expl ................   Passed    0.06 sec
+25/42 Test #31: grad/ts_deriv_impl_alpha ................   Passed    0.05 sec
+26/42 Test #32: grad/ts_deriv_impl_C6 ...................   Passed    0.03 sec
+33:  Frequency grid relative error: 0.12419844840072525E-009                          
+33:  Will use parallel mode: atoms     
+33: diff: 0.549E-11, threshold: 0.100E-07: 
+27/42 Test #33: grad/ts_deriv_impl_vdw ..................   Passed    0.02 sec
 test 34
       Start 34: grad/ts_ewald_deriv_impl_alpha
 
@@ -1268,6 +1342,18 @@
 37: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_api_tests "exception"
 37: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 37: Test timeout computed to be: 1500
+30: diff: 0.467E-08, threshold: 0.300E-05: 
+34:  Frequency grid relative error: 0.12419844840072525E-009                          
+34:  Will use parallel mode: atoms     
+34: diff: 0.208E-10, threshold: 0.100E-06: 
+35:  Frequency grid relative error: 0.12419844840072525E-009                          
+35:  Will use parallel mode: atoms     
+35: diff: 0.158E-09, threshold: 0.500E-07: 
+36:  Frequency grid relative error: 0.12419844840072525E-009                          
+36:  Will use parallel mode: atoms     
+36: diff: 0.177E-09, threshold: 0.100E-07: 
+28/42 Test #30: grad/ts_ewald_deriv_stress ..............   Passed    0.15 sec
+29/42 Test #34: grad/ts_ewald_deriv_impl_alpha ..........   Passed    0.09 sec
 test 38
       Start 38: api/energy
 
@@ -1280,6 +1366,8 @@
 39: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_api_tests "gradients"
 39: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 39: Test timeout computed to be: 1500
+30/42 Test #35: grad/ts_ewald_deriv_impl_C6 .............   Passed    0.11 sec
+31/42 Test #36: grad/ts_ewald_deriv_impl_vdw ............   Passed    0.09 sec
 test 40
       Start 40: api/energy_from_ratios
 
@@ -1292,159 +1380,107 @@
 41: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_api_tests "hirshfeld_gradients"
 41: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
 41: Test timeout computed to be: 1500
-9: diff: 0.525E-05, threshold: 0.100E-04: 
-20/42 Test  #9: grad/mbd_ewald_deriv_stress .............   Passed    0.05 sec
-23:  Frequency grid relative error: 0.12419844840072525E-009                          
-23:  Will use parallel mode: atoms     
-23: diff: 0.309E-08, threshold: 0.500E-07: 
-21/42 Test #23: grad/mbd_rsscs_deriv_impl_C6 ............   Passed    0.03 sec
-24:  Frequency grid relative error: 0.12419844840072525E-009                          
-24:  Will use parallel mode: atoms     
-24: diff: 0.785E-10, threshold: 0.100E-07: 
-22/42 Test #24: grad/mbd_rsscs_deriv_impl_vdw ...........   Passed    0.03 sec
-25:  Frequency grid relative error: 0.12419844840072525E-009                          
-25:  Will use parallel mode: atoms     
-26:  Frequency grid relative error: 0.12419844840072525E-009                          
-26:  Will use parallel mode: atoms     
-27:  Frequency grid relative error: 0.12419844840072525E-009                          
-27:  Will use parallel mode: atoms     
-28:  Frequency grid relative error: 0.12419844840072525E-009                          
-28:  Will use parallel mode: atoms     
-28: diff: 0.816E-12, threshold: 0.100E-07: 
-23/42 Test #28: grad/ts_deriv_expl ......................   Passed    0.02 sec
-29:  Frequency grid relative error: 0.12419844840072525E-009                          
-29:  Will use parallel mode: atoms     
-29: diff: 0.436E-10, threshold: 0.100E-07: 
-30:  Frequency grid relative error: 0.12419844840072525E-009                          
-30:  Will use parallel mode: atoms     
-31:  Frequency grid relative error: 0.12419844840072525E-009                          
-31:  Will use parallel mode: atoms     
-31: diff: 0.646E-11, threshold: 0.100E-06: 
-24/42 Test #31: grad/ts_deriv_impl_alpha ................   Passed    0.02 sec
-32:  Frequency grid relative error: 0.12419844840072525E-009                          
-32:  Will use parallel mode: atoms     
-32: diff: 0.162E-11, threshold: 0.500E-07: 
-25/42 Test #32: grad/ts_deriv_impl_C6 ...................   Passed    0.02 sec
-33:  Frequency grid relative error: 0.12419844840072525E-009                          
-33:  Will use parallel mode: atoms     
-33: diff: 0.549E-11, threshold: 0.100E-07: 
-26/42 Test #33: grad/ts_deriv_impl_vdw ..................   Passed    0.02 sec
-34:  Frequency grid relative error: 0.12419844840072525E-009                          
-34:  Will use parallel mode: atoms     
-34: diff: 0.208E-10, threshold: 0.100E-06: 
-35:  Frequency grid relative error: 0.12419844840072525E-009                          
-35:  Will use parallel mode: atoms     
-35: diff: 0.158E-09, threshold: 0.500E-07: 
-36:  Frequency grid relative error: 0.12419844840072525E-009                          
-36:  Will use parallel mode: atoms     
-36: diff: 0.177E-09, threshold: 0.100E-07: 
-test 42
-      Start 42: api/ts_gradients
-
-42: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_api_tests "ts_gradients"
-42: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
-42: Test timeout computed to be: 1500
 37:  Frequency grid relative error: 0.12419844840072525E-009                          
 37:  Will use parallel mode: none      
 38:  Frequency grid relative error: 0.12419844840072525E-009                          
 38:  Will use parallel mode: none      
 38:    id  level               label     count        time (s)
-38:    11      3  dipmat real                 17        0.000064
-38:    14      3  mmul                        49        0.000060
-38:    15      3  force contractions          49        0.000039
-38:    20      2  MBD dipole                   1        0.000016
-38:    21      2  MBD eig                      1        0.000044
-38:    22      2  MBD forces                   1        0.000012
-38:    30      2  SCS dipole                  16        0.000089
-38:    32      2  SCS inv                     16        0.000089
-38:    33      2  SCS forces                  16        0.000136
-38:    50      1  SCS                          1        0.000351
-38:    52      1  MBD                          1        0.000076
-38:    90      0  MBD@rsSCS                    1        0.000461
-38:    91      0  MBD@rsSCS forces             1        0.000005
+38:    11      3  dipmat real                 17        0.000126
+38:    14      3  mmul                        49        0.000104
+38:    15      3  force contractions          49        0.000082
+38:    20      2  MBD dipole                   1        0.000013
+38:    21      2  MBD eig                      1        0.000069
+38:    22      2  MBD forces                   1        0.000020
+38:    30      2  SCS dipole                  16        0.000185
+38:    32      2  SCS inv                     16        0.000188
+38:    33      2  SCS forces                  16        0.000286
+38:    50      1  SCS                          1        0.000780
+38:    52      1  MBD                          1        0.000110
+38:    90      0  MBD@rsSCS                    1        0.004796
+38:    91      0  MBD@rsSCS forces             1        0.000007
 39:  Frequency grid relative error: 0.12419844840072525E-009                          
 39:  Will use parallel mode: none      
 39:    id  level               label     count        time (s)
-39:    11      3  dipmat real                 17        0.000059
-39:    14      3  mmul                        49        0.000052
-39:    15      3  force contractions          49        0.000037
-39:    20      2  MBD dipole                   1        0.000012
-39:    21      2  MBD eig                      1        0.000038
-39:    22      2  MBD forces                   1        0.000009
-39:    30      2  SCS dipole                  16        0.000082
-39:    32      2  SCS inv                     16        0.000080
-39:    33      2  SCS forces                  16        0.000109
-39:    50      1  SCS                          1        0.000308
-39:    52      1  MBD                          1        0.000061
-39:    90      0  MBD@rsSCS                    1        0.000385
-39:    91      0  MBD@rsSCS forces             1        0.000004
+39:    11      3  dipmat real                 17        0.000091
+39:    14      3  mmul                        49        0.000246
+39:    15      3  force contractions          49        0.000034
+39:    20      2  MBD dipole                   1        0.000000
+39:    21      2  MBD eig                      1        0.000111
+39:    22      2  MBD forces                   1        0.000000
+39:    30      2  SCS dipole                  16        0.000130
+39:    32      2  SCS inv                     16        0.000139
+39:    33      2  SCS forces                  16        0.000519
+39:    50      1  SCS                          1        0.000940
+39:    52      1  MBD                          1        0.000111
+39:    90      0  MBD@rsSCS                    1        0.001129
+39:    91      0  MBD@rsSCS forces             1        0.000000
+32/42 Test #37: api/exception ...........................   Passed    0.11 sec
+33/42 Test #38: api/energy ..............................   Passed    0.07 sec
+34/42 Test #39: api/gradients ...........................   Passed    0.05 sec
+test 42
+      Start 42: api/ts_gradients
+
+42: Test command: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/mbd_api_tests "ts_gradients"
+42: Working Directory: /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests
+42: Test timeout computed to be: 1500
+27: diff: 0.334E-11, threshold: 0.100E-07: 
+35/42 Test #27: grad/mbd_rsscs_ewald_deriv_impl_vdw .....   Passed    0.33 sec
 40:  Frequency grid relative error: 0.12419844840072525E-009                          
 40:  Will use parallel mode: none      
 40:    id  level               label     count        time (s)
-40:    11      3  dipmat real                 17        0.000038
-40:    14      3  mmul                        49        0.000029
-40:    15      3  force contractions          49        0.000020
-40:    20      2  MBD dipole                   1        0.000009
-40:    21      2  MBD eig                      1        0.000025
-40:    22      2  MBD forces                   1        0.000006
-40:    30      2  SCS dipole                  16        0.000055
-40:    32      2  SCS inv                     16        0.000068
-40:    33      2  SCS forces                  16        0.000061
-40:    50      1  SCS                          1        0.000205
-40:    52      1  MBD                          1        0.000042
-40:    90      0  MBD@rsSCS                    1        0.000268
-40:    91      0  MBD@rsSCS forces             1        0.000003
+40:    11      3  dipmat real                 17        0.000211
+40:    14      3  mmul                        49        0.000068
+40:    15      3  force contractions          49        0.000040
+40:    20      2  MBD dipole                   1        0.000000
+40:    21      2  MBD eig                      1        0.000125
+40:    22      2  MBD forces                   1        0.000056
+40:    30      2  SCS dipole                  16        0.000432
+40:    32      2  SCS inv                     16        0.000158
+40:    33      2  SCS forces                  16        0.000131
+40:    50      1  SCS                          1        0.000869
+40:    52      1  MBD                          1        0.000182
+40:    90      0  MBD@rsSCS                    1        0.001081
+40:    91      0  MBD@rsSCS forces             1        0.000000
+36/42 Test #40: api/energy_from_ratios ..................   Passed    0.04 sec
 41:  Frequency grid relative error: 0.12419844840072525E-009                          
 41:  Will use parallel mode: none      
 41:    id  level               label     count        time (s)
-41:    11      3  dipmat real                 17        0.000046
-41:    14      3  mmul                        81        0.000048
-41:    15      3  force contractions          81        0.000034
-41:    20      2  MBD dipole                   1        0.000003
-41:    21      2  MBD eig                      1        0.000030
-41:    22      2  MBD forces                   1        0.000006
-41:    30      2  SCS dipole                  16        0.000064
-41:    32      2  SCS inv                     16        0.000058
-41:    33      2  SCS forces                  16        0.000102
-41:    50      1  SCS                          1        0.000245
-41:    52      1  MBD                          1        0.000041
-41:    90      0  MBD@rsSCS                    1        0.000302
-41:    91      0  MBD@rsSCS forces             1        0.000011
-27/42 Test #29: grad/ts_ewald_deriv_expl ................   Passed    0.02 sec
-28/42 Test #34: grad/ts_ewald_deriv_impl_alpha ..........   Passed    0.02 sec
-29/42 Test #35: grad/ts_ewald_deriv_impl_C6 .............   Passed    0.02 sec
-30/42 Test #36: grad/ts_ewald_deriv_impl_vdw ............   Passed    0.01 sec
-31/42 Test #37: api/exception ...........................   Passed    0.01 sec
-32/42 Test #38: api/energy ..............................   Passed    0.01 sec
-33/42 Test #39: api/gradients ...........................   Passed    0.01 sec
-34/42 Test #40: api/energy_from_ratios ..................   Passed    0.01 sec
-35/42 Test #41: api/hirshfeld_gradients .................   Passed    0.01 sec
-30: diff: 0.467E-08, threshold: 0.300E-05: 
-36/42 Test #30: grad/ts_ewald_deriv_stress ..............   Passed    0.02 sec
+41:    11      3  dipmat real                 17        0.000057
+41:    14      3  mmul                        81        0.000277
+41:    15      3  force contractions          81        0.000161
+41:    20      2  MBD dipole                   1        0.000000
+41:    21      2  MBD eig                      1        0.000166
+41:    22      2  MBD forces                   1        0.000000
+41:    30      2  SCS dipole                  16        0.000153
+41:    32      2  SCS inv                     16        0.000197
+41:    33      2  SCS forces                  16        0.008665
+41:    50      1  SCS                          1        0.009055
+41:    52      1  MBD                          1        0.000166
+41:    90      0  MBD@rsSCS                    1        0.009259
+41:    91      0  MBD@rsSCS forces             1        0.000063
+26: diff: 0.199E-09, threshold: 0.500E-07: 
+25: diff: 0.528E-10, threshold: 0.100E-06: 
+37/42 Test #25: grad/mbd_rsscs_ewald_deriv_impl_alpha ...   Passed    0.36 sec
+38/42 Test #26: grad/mbd_rsscs_ewald_deriv_impl_C6 ......   Passed    0.35 sec
+39/42 Test #41: api/hirshfeld_gradients .................   Passed    0.04 sec
 42:  Frequency grid relative error: 0.12419844840072525E-009                          
 42:  Will use parallel mode: none      
 42:    id  level               label     count        time (s)
-37/42 Test #42: api/ts_gradients ........................   Passed    0.00 sec
-25: diff: 0.528E-10, threshold: 0.100E-06: 
-38/42 Test #25: grad/mbd_rsscs_ewald_deriv_impl_alpha ...   Passed    0.09 sec
-26: diff: 0.199E-09, threshold: 0.500E-07: 
-39/42 Test #26: grad/mbd_rsscs_ewald_deriv_impl_C6 ......   Passed    0.09 sec
-27: diff: 0.334E-11, threshold: 0.100E-07: 
-40/42 Test #27: grad/mbd_rsscs_ewald_deriv_impl_vdw .....   Passed    0.09 sec
+40/42 Test #42: api/ts_gradients ........................   Passed    0.03 sec
 20: diff: 0.245E-09, threshold: 0.100E-07: 
-41/42 Test #20: grad/mbd_rsscs_ewald_deriv_expl .........   Passed    0.25 sec
+41/42 Test #20: grad/mbd_rsscs_ewald_deriv_expl .........   Passed    0.68 sec
 21: diff: 0.151E-06, threshold: 0.300E-05: 
-42/42 Test #21: grad/mbd_rsscs_ewald_deriv_stress .......   Passed    0.37 sec
+42/42 Test #21: grad/mbd_rsscs_ewald_deriv_stress .......   Passed    0.89 sec
 
 100% tests passed, 0 tests failed out of 42
 
-Total Test time (real) =   0.40 sec
+Total Test time (real) =   1.72 sec
 make[1]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
    create-stamp debian/debhelper-build-stamp
    dh_testroot -O--buildsystem=cmake
    dh_prep -O--buildsystem=cmake
    dh_auto_install --destdir=debian/libmbd-dev/ -O--buildsystem=cmake
-	cd obj-i686-linux-gnu && make -j22 install DESTDIR=/build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
+	cd obj-i686-linux-gnu && make -j10 install DESTDIR=/build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
 make[1]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 /usr/bin/cmake -S/build/reproducible-path/libmbd-0.12.8 -B/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/CMakeFiles /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu//CMakeFiles/progress.marks
@@ -1460,23 +1496,23 @@
 make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 [ 82%] Built target mbd
 make  -f tests/CMakeFiles/mbd_grad_tests.dir/build.make tests/CMakeFiles/mbd_grad_tests.dir/depend
-make  -f tests/CMakeFiles/mbd_api_tests.dir/build.make tests/CMakeFiles/mbd_api_tests.dir/depend
 make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libmbd-0.12.8 /build/reproducible-path/libmbd-0.12.8/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_grad_tests.dir/DependInfo.cmake "--color="
+make  -f tests/CMakeFiles/mbd_api_tests.dir/build.make tests/CMakeFiles/mbd_api_tests.dir/depend
 make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 cd /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libmbd-0.12.8 /build/reproducible-path/libmbd-0.12.8/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/tests/CMakeFiles/mbd_api_tests.dir/DependInfo.cmake "--color="
 make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
-make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 make  -f tests/CMakeFiles/mbd_grad_tests.dir/build.make tests/CMakeFiles/mbd_grad_tests.dir/build
+make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 make  -f tests/CMakeFiles/mbd_api_tests.dir/build.make tests/CMakeFiles/mbd_api_tests.dir/build
 make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
-make[3]: Nothing to be done for 'tests/CMakeFiles/mbd_api_tests.dir/build'.
+make[3]: Nothing to be done for 'tests/CMakeFiles/mbd_grad_tests.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 make[3]: Entering directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
-make[3]: Nothing to be done for 'tests/CMakeFiles/mbd_grad_tests.dir/build'.
+make[3]: Nothing to be done for 'tests/CMakeFiles/mbd_api_tests.dir/build'.
 make[3]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
+[ 89%] Built target mbd_api_tests
 [100%] Built target mbd_grad_tests
-[100%] Built target mbd_api_tests
 make[2]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu/CMakeFiles 0
 make  -f CMakeFiles/Makefile2 preinstall
@@ -1489,28 +1525,28 @@
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/lib/i386-linux-gnu/libmbd.a
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd.h
 -- Up-to-date: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_c_api.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_geom.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_methods.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_hamiltonian.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_gradients.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_lapack.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_formulas.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_damping.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_ts.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_matrix.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_defaults.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_density.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_geom.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_dipole.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_version.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_linalg.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_defaults.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_gradients.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_methods.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_scs.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_coulomb.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_lapack.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_constants.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_c_api.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_rpa.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_linalg.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_utils.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_constants.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_formulas.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_dipole.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_scs.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_ts.mod
--- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_damping.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_hamiltonian.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd_vdw_param.mod
+-- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/include/mbd/mbd.mod
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/lib/i386-linux-gnu/cmake/mbd/MbdConfig.cmake
 -- Installing: /build/reproducible-path/libmbd-0.12.8/debian/libmbd-dev/usr/lib/i386-linux-gnu/cmake/mbd/MbdConfig-release.cmake
 make[1]: Leaving directory '/build/reproducible-path/libmbd-0.12.8/obj-i686-linux-gnu'
@@ -1539,12 +1575,14 @@
 dpkg-buildpackage: info: binary-only upload (no source included)
 dpkg-genchanges: info: including full source code in upload
 I: copying local configuration
+I: user script /srv/workspace/pbuilder/50196/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/50196/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/127220 and its subdirectories
-I: Current time: Sat Apr 18 13:00:53 -12 2026
-I: pbuilder-time-stamp: 1776560453
+I: removing directory /srv/workspace/pbuilder/50196 and its subdirectories
+I: Current time: Mon Mar 17 08:40:45 +14 2025
+I: pbuilder-time-stamp: 1742150445