0s autopkgtest [21:11:54]: starting date and time: 2024-11-16 21:11:54+0000 0s autopkgtest [21:11:54]: git checkout: 6f3be7a8 Fix armhf LXD image generation for plucky 0s autopkgtest [21:11:54]: host juju-7f2275-prod-proposed-migration-environment-20; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.47cm36x7/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:openmpi,src:armci-mpi,src:murasaki --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=openmpi/5.0.5-6 armci-mpi/0.4-4 murasaki/1.68.6-14' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-s390x --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-20@bos03-s390x-24.secgroup --name adt-plucky-s390x-gromacs-20241116-195519-juju-7f2275-prod-proposed-migration-environment-20-e4cdc520-8b6f-4584-add7-3d8350549de6 --image adt/ubuntu-plucky-s390x-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-20 --net-id=net_prod-proposed-migration-s390x -e TERM=linux -e ''"'"'http_proxy=http://squid.internal:3128'"'"'' -e ''"'"'https_proxy=http://squid.internal:3128'"'"'' -e ''"'"'no_proxy=127.0.0.1,127.0.1.1,login.ubuntu.com,localhost,localdomain,novalocal,internal,archive.ubuntu.com,ports.ubuntu.com,security.ubuntu.com,ddebs.ubuntu.com,changelogs.ubuntu.com,keyserver.ubuntu.com,launchpadlibrarian.net,launchpadcontent.net,launchpad.net,10.24.0.0/24,keystone.ps5.canonical.com,objectstorage.prodstack5.canonical.com'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 67s autopkgtest [21:13:01]: testbed dpkg architecture: s390x 67s autopkgtest [21:13:01]: testbed apt version: 2.9.8 67s autopkgtest [21:13:01]: @@@@@@@@@@@@@@@@@@@@ test bed setup 68s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [73.9 kB] 68s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [15.5 kB] 68s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [997 kB] 68s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [7016 B] 68s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [90.7 kB] 68s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main s390x Packages [147 kB] 68s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x Packages [732 kB] 68s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse s390x Packages [4940 B] 69s Fetched 2068 kB in 1s (2555 kB/s) 69s Reading package lists... 71s Reading package lists... 71s Building dependency tree... 71s Reading state information... 71s Calculating upgrade... 71s The following NEW packages will be installed: 71s python3.13-gdbm 71s The following packages will be upgraded: 71s debianutils libftdi1-2 libnvme1t64 python3-gdbm 71s 4 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. 71s Need to get 248 kB of archives. 71s After this operation, 100 kB of additional disk space will be used. 71s Get:1 http://ftpmaster.internal/ubuntu plucky/main s390x debianutils s390x 5.21 [93.3 kB] 71s Get:2 http://ftpmaster.internal/ubuntu plucky/main s390x python3.13-gdbm s390x 3.13.0-2 [31.0 kB] 71s Get:3 http://ftpmaster.internal/ubuntu plucky/main s390x python3-gdbm s390x 3.12.7-1 [8642 B] 71s Get:4 http://ftpmaster.internal/ubuntu plucky/main s390x libftdi1-2 s390x 1.5-7build1 [29.3 kB] 71s Get:5 http://ftpmaster.internal/ubuntu plucky/main s390x libnvme1t64 s390x 1.11-2 [85.6 kB] 72s Fetched 248 kB in 0s (551 kB/s) 72s (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 ... 55524 files and directories currently installed.) 72s Preparing to unpack .../debianutils_5.21_s390x.deb ... 72s Unpacking debianutils (5.21) over (5.20) ... 72s Setting up debianutils (5.21) ... 72s Selecting previously unselected package python3.13-gdbm. 72s (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 ... 55524 files and directories currently installed.) 72s Preparing to unpack .../python3.13-gdbm_3.13.0-2_s390x.deb ... 72s Unpacking python3.13-gdbm (3.13.0-2) ... 72s Preparing to unpack .../python3-gdbm_3.12.7-1_s390x.deb ... 72s Unpacking python3-gdbm:s390x (3.12.7-1) over (3.12.6-1ubuntu1) ... 72s Preparing to unpack .../libftdi1-2_1.5-7build1_s390x.deb ... 72s Unpacking libftdi1-2:s390x (1.5-7build1) over (1.5-7) ... 72s Preparing to unpack .../libnvme1t64_1.11-2_s390x.deb ... 72s Unpacking libnvme1t64 (1.11-2) over (1.11-1) ... 72s Setting up libftdi1-2:s390x (1.5-7build1) ... 72s Setting up libnvme1t64 (1.11-2) ... 72s Setting up python3.13-gdbm (3.13.0-2) ... 72s Setting up python3-gdbm:s390x (3.12.7-1) ... 72s Processing triggers for man-db (2.13.0-1) ... 73s Processing triggers for libc-bin (2.40-1ubuntu3) ... 73s Reading package lists... 73s Building dependency tree... 73s Reading state information... 73s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 73s Hit:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease 74s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 74s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 74s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 75s Reading package lists... 75s Reading package lists... 75s Building dependency tree... 75s Reading state information... 75s Calculating upgrade... 75s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 75s Reading package lists... 75s Building dependency tree... 75s Reading state information... 75s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 78s autopkgtest [21:13:12]: testbed running kernel: Linux 6.11.0-8-generic #8-Ubuntu SMP Mon Sep 16 12:49:35 UTC 2024 78s autopkgtest [21:13:12]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 84s Get:1 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (dsc) [3648 B] 84s Get:2 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [48.1 MB] 84s Get:3 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (tar) [42.4 MB] 84s Get:4 http://ftpmaster.internal/ubuntu plucky/universe gromacs 2024.2-1 (diff) [37.8 kB] 84s gpgv: Signature made Sat May 11 22:19:23 2024 UTC 84s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 84s gpgv: issuer "nbreen@debian.org" 84s gpgv: Can't check signature: No public key 84s dpkg-source: warning: cannot verify inline signature for ./gromacs_2024.2-1.dsc: no acceptable signature found 85s autopkgtest [21:13:19]: testing package gromacs version 2024.2-1 86s autopkgtest [21:13:20]: build not needed 95s autopkgtest [21:13:29]: test gromacs-regressiontests: preparing testbed 96s Reading package lists... 96s Building dependency tree... 96s Reading state information... 97s Starting pkgProblemResolver with broken count: 0 97s Starting 2 pkgProblemResolver with broken count: 0 97s Done 97s The following additional packages will be installed: 97s build-essential cpp cpp-14 cpp-14-s390x-linux-gnu cpp-s390x-linux-gnu 97s fonts-mathjax g++ g++-14 g++-14-s390x-linux-gnu g++-s390x-linux-gnu gcc 97s gcc-14 gcc-14-s390x-linux-gnu gcc-s390x-linux-gnu gromacs gromacs-data 97s libasan8 libblas3 libcc1-0 libevent-pthreads-2.1-7t64 libfabric1 97s libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 libfftw3-single3 97s libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev libgromacs9 97s libhwloc-plugins libhwloc15 libisl23 libitm1 libjs-mathjax liblapack3 97s libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 97s libopenmpi3t64 libpciaccess0 libpmix2t64 librdmacm1t64 libstdc++-14-dev 97s libubsan1 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 97s openmpi-common 97s Suggested packages: 97s cpp-doc gcc-14-locales cpp-14-doc gcc-14-doc gcc-multilib manpages-dev 97s autoconf automake libtool flex bison gdb gcc-doc gdb-s390x-linux-gnu pymol 97s libfftw3-doc mpi-default-dev zlib1g-dev fonts-mathjax-extras fonts-stix 97s libjs-mathjax-doc libstdc++-14-doc opencl-icd gfortran | fortran-compiler 97s The following NEW packages will be installed: 97s autopkgtest-satdep build-essential cpp cpp-14 cpp-14-s390x-linux-gnu 97s cpp-s390x-linux-gnu fonts-mathjax g++ g++-14 g++-14-s390x-linux-gnu 97s g++-s390x-linux-gnu gcc gcc-14 gcc-14-s390x-linux-gnu gcc-s390x-linux-gnu 97s gromacs gromacs-data libasan8 libblas3 libcc1-0 libevent-pthreads-2.1-7t64 97s libfabric1 libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 97s libfftw3-single3 libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev 97s libgromacs9 libhwloc-plugins libhwloc15 libisl23 libitm1 libjs-mathjax 97s liblapack3 libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 97s libopenmpi3t64 libpciaccess0 libpmix2t64 librdmacm1t64 libstdc++-14-dev 97s libubsan1 libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin 97s openmpi-common 97s 0 upgraded, 54 newly installed, 0 to remove and 0 not upgraded. 97s Need to get 137 MB/137 MB of archives. 97s After this operation, 623 MB of additional disk space will be used. 97s Get:1 /tmp/autopkgtest.8tyyq5/1-autopkgtest-satdep.deb autopkgtest-satdep s390x 0 [768 B] 97s Get:2 http://ftpmaster.internal/ubuntu plucky/main s390x libisl23 s390x 0.27-1 [704 kB] 97s Get:3 http://ftpmaster.internal/ubuntu plucky/main s390x libmpc3 s390x 1.3.1-1build2 [57.8 kB] 97s Get:4 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-14-s390x-linux-gnu s390x 14.2.0-8ubuntu1 [9570 kB] 98s Get:5 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-14 s390x 14.2.0-8ubuntu1 [1026 B] 98s Get:6 http://ftpmaster.internal/ubuntu plucky/main s390x cpp-s390x-linux-gnu s390x 4:14.1.0-2ubuntu1 [5452 B] 98s Get:7 http://ftpmaster.internal/ubuntu plucky/main s390x cpp s390x 4:14.1.0-2ubuntu1 [22.4 kB] 98s Get:8 http://ftpmaster.internal/ubuntu plucky/main s390x libcc1-0 s390x 14.2.0-8ubuntu1 [50.6 kB] 98s Get:9 http://ftpmaster.internal/ubuntu plucky/main s390x libgomp1 s390x 14.2.0-8ubuntu1 [151 kB] 98s Get:10 http://ftpmaster.internal/ubuntu plucky/main s390x libitm1 s390x 14.2.0-8ubuntu1 [30.9 kB] 98s Get:11 http://ftpmaster.internal/ubuntu plucky/main s390x libasan8 s390x 14.2.0-8ubuntu1 [2963 kB] 98s Get:12 http://ftpmaster.internal/ubuntu plucky/main s390x libubsan1 s390x 14.2.0-8ubuntu1 [1184 kB] 98s Get:13 http://ftpmaster.internal/ubuntu plucky/main s390x libgcc-14-dev s390x 14.2.0-8ubuntu1 [1037 kB] 98s Get:14 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-14-s390x-linux-gnu s390x 14.2.0-8ubuntu1 [18.7 MB] 98s Get:15 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-14 s390x 14.2.0-8ubuntu1 [518 kB] 98s Get:16 http://ftpmaster.internal/ubuntu plucky/main s390x gcc-s390x-linux-gnu s390x 4:14.1.0-2ubuntu1 [1204 B] 98s Get:17 http://ftpmaster.internal/ubuntu plucky/main s390x gcc s390x 4:14.1.0-2ubuntu1 [4996 B] 98s Get:18 http://ftpmaster.internal/ubuntu plucky/main s390x libstdc++-14-dev s390x 14.2.0-8ubuntu1 [2608 kB] 98s Get:19 http://ftpmaster.internal/ubuntu plucky/main s390x g++-14-s390x-linux-gnu s390x 14.2.0-8ubuntu1 [11.0 MB] 98s Get:20 http://ftpmaster.internal/ubuntu plucky/main s390x g++-14 s390x 14.2.0-8ubuntu1 [19.9 kB] 98s Get:21 http://ftpmaster.internal/ubuntu plucky/main s390x g++-s390x-linux-gnu s390x 4:14.1.0-2ubuntu1 [956 B] 98s Get:22 http://ftpmaster.internal/ubuntu plucky/main s390x g++ s390x 4:14.1.0-2ubuntu1 [1076 B] 98s Get:23 http://ftpmaster.internal/ubuntu plucky/main s390x build-essential s390x 12.10ubuntu1 [4930 B] 98s Get:24 http://ftpmaster.internal/ubuntu plucky/main s390x fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 99s Get:25 http://ftpmaster.internal/ubuntu plucky/main s390x libblas3 s390x 3.12.0-3build2 [238 kB] 99s Get:26 http://ftpmaster.internal/ubuntu plucky/main s390x libevent-pthreads-2.1-7t64 s390x 2.1.12-stable-10 [7870 B] 99s Get:27 http://ftpmaster.internal/ubuntu plucky/main s390x librdmacm1t64 s390x 52.0-2ubuntu1 [73.8 kB] 99s Get:28 http://ftpmaster.internal/ubuntu plucky/universe s390x libfabric1 s390x 1.17.0-3ubuntu1 [558 kB] 99s Get:29 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-double3 s390x 3.3.10-1ubuntu4 [511 kB] 99s Get:30 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-long3 s390x 3.3.10-1ubuntu4 [533 kB] 99s Get:31 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-single3 s390x 3.3.10-1ubuntu4 [482 kB] 99s Get:32 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-bin s390x 3.3.10-1ubuntu4 [36.4 kB] 99s Get:33 http://ftpmaster.internal/ubuntu plucky/main s390x libfftw3-dev s390x 3.3.10-1ubuntu4 [1326 kB] 99s Get:34 http://ftpmaster.internal/ubuntu plucky/main s390x libgfortran5 s390x 14.2.0-8ubuntu1 [587 kB] 99s Get:35 http://ftpmaster.internal/ubuntu plucky/universe s390x libhwloc15 s390x 2.11.2-1 [176 kB] 99s Get:36 http://ftpmaster.internal/ubuntu plucky/main s390x liblapack3 s390x 3.12.0-3build2 [2953 kB] 99s Get:37 http://ftpmaster.internal/ubuntu plucky/universe s390x libmuparser2v5 s390x 2.3.4-1 [138 kB] 99s Get:38 http://ftpmaster.internal/ubuntu plucky/universe s390x libmunge2 s390x 0.5.15-4build1 [15.6 kB] 99s Get:39 http://ftpmaster.internal/ubuntu plucky/main s390x libpciaccess0 s390x 0.17-3build1 [19.0 kB] 99s Get:40 http://ftpmaster.internal/ubuntu plucky/main s390x libxnvctrl0 s390x 510.47.03-0ubuntu4 [12.7 kB] 99s Get:41 http://ftpmaster.internal/ubuntu plucky/universe s390x ocl-icd-libopencl1 s390x 2.3.2-1build1 [41.1 kB] 99s Get:42 http://ftpmaster.internal/ubuntu plucky/universe s390x libhwloc-plugins s390x 2.11.2-1 [16.1 kB] 99s Get:43 http://ftpmaster.internal/ubuntu plucky/universe s390x libpmix2t64 s390x 5.0.3-2 [718 kB] 99s Get:44 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x libopenmpi3t64 s390x 5.0.5-6 [2104 kB] 99s Get:45 http://ftpmaster.internal/ubuntu plucky/universe s390x libgromacs9 s390x 2024.2-1 [27.8 MB] 100s Get:46 http://ftpmaster.internal/ubuntu plucky/universe s390x libnblib-gmx0 s390x 2024.2-1 [250 kB] 100s Get:47 http://ftpmaster.internal/ubuntu plucky/universe s390x libnblib-gmx-dev s390x 2024.2-1 [26.2 kB] 100s Get:48 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x openmpi-common all 5.0.5-6 [95.6 kB] 100s Get:49 http://ftpmaster.internal/ubuntu plucky-proposed/universe s390x openmpi-bin s390x 5.0.5-6 [175 kB] 100s Get:50 http://ftpmaster.internal/ubuntu plucky/main s390x libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 100s Get:51 http://ftpmaster.internal/ubuntu plucky/universe s390x gromacs-data all 2024.2-1 [41.0 MB] 101s Get:52 http://ftpmaster.internal/ubuntu plucky/universe s390x gromacs s390x 2024.2-1 [57.1 kB] 101s Get:53 http://ftpmaster.internal/ubuntu plucky/universe s390x libgromacs-dev s390x 2024.2-1 [168 kB] 101s Get:54 http://ftpmaster.internal/ubuntu plucky/universe s390x mpi-default-bin s390x 1.17 [2296 B] 101s Fetched 137 MB in 4s (32.3 MB/s) 101s Selecting previously unselected package libisl23:s390x. 101s (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 ... 55531 files and directories currently installed.) 101s Preparing to unpack .../00-libisl23_0.27-1_s390x.deb ... 101s Unpacking libisl23:s390x (0.27-1) ... 101s Selecting previously unselected package libmpc3:s390x. 101s Preparing to unpack .../01-libmpc3_1.3.1-1build2_s390x.deb ... 101s Unpacking libmpc3:s390x (1.3.1-1build2) ... 101s Selecting previously unselected package cpp-14-s390x-linux-gnu. 101s Preparing to unpack .../02-cpp-14-s390x-linux-gnu_14.2.0-8ubuntu1_s390x.deb ... 101s Unpacking cpp-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 101s Selecting previously unselected package cpp-14. 101s Preparing to unpack .../03-cpp-14_14.2.0-8ubuntu1_s390x.deb ... 101s Unpacking cpp-14 (14.2.0-8ubuntu1) ... 101s Selecting previously unselected package cpp-s390x-linux-gnu. 101s Preparing to unpack .../04-cpp-s390x-linux-gnu_4%3a14.1.0-2ubuntu1_s390x.deb ... 101s Unpacking cpp-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 101s Selecting previously unselected package cpp. 101s Preparing to unpack .../05-cpp_4%3a14.1.0-2ubuntu1_s390x.deb ... 101s Unpacking cpp (4:14.1.0-2ubuntu1) ... 101s Selecting previously unselected package libcc1-0:s390x. 101s Preparing to unpack .../06-libcc1-0_14.2.0-8ubuntu1_s390x.deb ... 101s Unpacking libcc1-0:s390x (14.2.0-8ubuntu1) ... 101s Selecting previously unselected package libgomp1:s390x. 101s Preparing to unpack .../07-libgomp1_14.2.0-8ubuntu1_s390x.deb ... 101s Unpacking libgomp1:s390x (14.2.0-8ubuntu1) ... 101s Selecting previously unselected package libitm1:s390x. 101s Preparing to unpack .../08-libitm1_14.2.0-8ubuntu1_s390x.deb ... 101s Unpacking libitm1:s390x (14.2.0-8ubuntu1) ... 101s Selecting previously unselected package libasan8:s390x. 101s Preparing to unpack .../09-libasan8_14.2.0-8ubuntu1_s390x.deb ... 101s Unpacking libasan8:s390x (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package libubsan1:s390x. 102s Preparing to unpack .../10-libubsan1_14.2.0-8ubuntu1_s390x.deb ... 102s Unpacking libubsan1:s390x (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package libgcc-14-dev:s390x. 102s Preparing to unpack .../11-libgcc-14-dev_14.2.0-8ubuntu1_s390x.deb ... 102s Unpacking libgcc-14-dev:s390x (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package gcc-14-s390x-linux-gnu. 102s Preparing to unpack .../12-gcc-14-s390x-linux-gnu_14.2.0-8ubuntu1_s390x.deb ... 102s Unpacking gcc-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package gcc-14. 102s Preparing to unpack .../13-gcc-14_14.2.0-8ubuntu1_s390x.deb ... 102s Unpacking gcc-14 (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package gcc-s390x-linux-gnu. 102s Preparing to unpack .../14-gcc-s390x-linux-gnu_4%3a14.1.0-2ubuntu1_s390x.deb ... 102s Unpacking gcc-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 102s Selecting previously unselected package gcc. 102s Preparing to unpack .../15-gcc_4%3a14.1.0-2ubuntu1_s390x.deb ... 102s Unpacking gcc (4:14.1.0-2ubuntu1) ... 102s Selecting previously unselected package libstdc++-14-dev:s390x. 102s Preparing to unpack .../16-libstdc++-14-dev_14.2.0-8ubuntu1_s390x.deb ... 102s Unpacking libstdc++-14-dev:s390x (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package g++-14-s390x-linux-gnu. 102s Preparing to unpack .../17-g++-14-s390x-linux-gnu_14.2.0-8ubuntu1_s390x.deb ... 102s Unpacking g++-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package g++-14. 102s Preparing to unpack .../18-g++-14_14.2.0-8ubuntu1_s390x.deb ... 102s Unpacking g++-14 (14.2.0-8ubuntu1) ... 102s Selecting previously unselected package g++-s390x-linux-gnu. 102s Preparing to unpack .../19-g++-s390x-linux-gnu_4%3a14.1.0-2ubuntu1_s390x.deb ... 102s Unpacking g++-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 102s Selecting previously unselected package g++. 102s Preparing to unpack .../20-g++_4%3a14.1.0-2ubuntu1_s390x.deb ... 102s Unpacking g++ (4:14.1.0-2ubuntu1) ... 102s Selecting previously unselected package build-essential. 102s Preparing to unpack .../21-build-essential_12.10ubuntu1_s390x.deb ... 102s Unpacking build-essential (12.10ubuntu1) ... 102s Selecting previously unselected package fonts-mathjax. 102s Preparing to unpack .../22-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 102s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 102s Selecting previously unselected package libblas3:s390x. 102s Preparing to unpack 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libgomp1:s390x (14.2.0-8ubuntu1) ... 105s Setting up libxnvctrl0:s390x (510.47.03-0ubuntu4) ... 105s Setting up libblas3:s390x (3.12.0-3build2) ... 105s update-alternatives: using /usr/lib/s390x-linux-gnu/blas/libblas.so.3 to provide /usr/lib/s390x-linux-gnu/libblas.so.3 (libblas.so.3-s390x-linux-gnu) in auto mode 105s Setting up libmunge2:s390x (0.5.15-4build1) ... 105s Setting up libhwloc15:s390x (2.11.2-1) ... 105s Setting up libmpc3:s390x (1.3.1-1build2) ... 105s Setting up libfftw3-double3:s390x (3.3.10-1ubuntu4) ... 105s Setting up libgfortran5:s390x (14.2.0-8ubuntu1) ... 105s Setting up libubsan1:s390x (14.2.0-8ubuntu1) ... 105s Setting up ocl-icd-libopencl1:s390x (2.3.2-1build1) ... 105s Setting up libasan8:s390x (14.2.0-8ubuntu1) ... 105s Setting up openmpi-common (5.0.5-6) ... 105s Setting up librdmacm1t64:s390x (52.0-2ubuntu1) ... 105s Setting up libmuparser2v5:s390x (2.3.4-1) ... 105s Setting up libisl23:s390x (0.27-1) ... 105s Setting up libcc1-0:s390x (14.2.0-8ubuntu1) ... 105s Setting up libitm1:s390x (14.2.0-8ubuntu1) ... 105s Setting up libfabric1:s390x (1.17.0-3ubuntu1) ... 105s Setting up gromacs-data (2024.2-1) ... 105s Setting up liblapack3:s390x (3.12.0-3build2) ... 105s update-alternatives: using /usr/lib/s390x-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/s390x-linux-gnu/liblapack.so.3 (liblapack.so.3-s390x-linux-gnu) in auto mode 105s Setting up libfftw3-single3:s390x (3.3.10-1ubuntu4) ... 105s Setting up libfftw3-long3:s390x (3.3.10-1ubuntu4) ... 105s Setting up libhwloc-plugins:s390x (2.11.2-1) ... 105s Setting up libpmix2t64:s390x (5.0.3-2) ... 105s Setting up cpp-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 105s Setting up cpp-14 (14.2.0-8ubuntu1) ... 105s Setting up libopenmpi3t64:s390x (5.0.5-6) ... 105s Setting up libgcc-14-dev:s390x (14.2.0-8ubuntu1) ... 105s Setting up libstdc++-14-dev:s390x (14.2.0-8ubuntu1) ... 105s Setting up openmpi-bin (5.0.5-6) ... 105s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 105s update-alternatives: warning: skip creation of /usr/share/man/man1/mpiexec.1.gz because associated file /usr/share/man/man1/mpiexec.openmpi.1.gz (of link group mpirun) doesn't exist 105s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 105s Setting up cpp-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 105s Setting up libfftw3-bin (3.3.10-1ubuntu4) ... 105s Setting up libgromacs9:s390x (2024.2-1) ... 105s Setting up mpi-default-bin (1.17) ... 105s Setting up gromacs (2024.2-1) ... 105s Setting up gcc-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 105s Setting up gcc-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 105s Setting up g++-14-s390x-linux-gnu (14.2.0-8ubuntu1) ... 105s Setting up cpp (4:14.1.0-2ubuntu1) ... 105s Setting up libnblib-gmx0:s390x (2024.2-1) ... 105s Setting up libfftw3-dev:s390x (3.3.10-1ubuntu4) ... 105s Setting up libnblib-gmx-dev (2024.2-1) ... 105s Setting up g++-s390x-linux-gnu (4:14.1.0-2ubuntu1) ... 105s Setting up gcc-14 (14.2.0-8ubuntu1) ... 105s Setting up libgromacs-dev (2024.2-1) ... 105s Setting up g++-14 (14.2.0-8ubuntu1) ... 105s Setting up gcc (4:14.1.0-2ubuntu1) ... 105s Setting up g++ (4:14.1.0-2ubuntu1) ... 105s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 105s Setting up build-essential (12.10ubuntu1) ... 105s Setting up autopkgtest-satdep (0) ... 105s Processing triggers for man-db (2.13.0-1) ... 106s Processing triggers for libc-bin (2.40-1ubuntu3) ... 109s (Reading database ... 85753 files and directories currently installed.) 109s Removing autopkgtest-satdep (0) ... 110s autopkgtest [21:13:44]: test gromacs-regressiontests: [----------------------- 110s ======================================================== 110s Starting regression tests: basic build, single precision 110s ======================================================== 110s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 110s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 110s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 110s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 110s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 110s PASSED but check mdp file differences 110s Testing aminoacids . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 110s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 110s gmx mdrun -notunepme >mdrun.out 2>&1 111s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 111s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 111s PASSED but check mdp file differences 111s Testing argon . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 111s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 111s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 111s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 111s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 111s PASSED but check mdp file differences 111s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 111s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 111s gmx mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 111s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/reference_s.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 111s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 111s PASSED but check mdp file differences 111s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 111s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 111s gmx mdrun -notunepme >mdrun.out 2>&1 111s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 111s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 111s PASSED but check mdp file differences 111s Testing butane . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 111s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 111s gmx mdrun -notunepme >mdrun.out 2>&1 111s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 111s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 111s PASSED but check mdp file differences 111s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 111s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 111s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 111s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 111s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 111s PASSED but check mdp file differences 111s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 111s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 111s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 188s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 188s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 188s PASSED but check mdp file differences 188s Testing dec+water . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 188s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 188s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 188s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 188s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 188s PASSED but check mdp file differences 188s Testing distance_restraints . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 188s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 188s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 188s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 188s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 188s PASSED but check mdp file differences 188s Testing ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 188s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 188s gmx mdrun -notunepme >mdrun.out 2>&1 188s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 188s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing field . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 189s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing nacl . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 189s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 189s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 189s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 189s PASSED but check mdp file differences 189s Testing nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 189s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 189s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 190s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 190s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 190s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 190s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 190s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 190s gmx mdrun -notunepme >mdrun.out 2>&1 190s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 190s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 190s PASSED but check mdp file differences 190s Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 190s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 190s gmx mdrun -notunepme >mdrun.out 2>&1 191s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 191s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 191s PASSED but check mdp file differences 191s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 191s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 191s gmx mdrun -notunepme >mdrun.out 2>&1 191s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 191s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 191s PASSED but check mdp file differences 191s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 191s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 191s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 192s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 192s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 192s PASSED but check mdp file differences 192s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 192s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 192s gmx mdrun -notunepme >mdrun.out 2>&1 193s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 193s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 193s PASSED but check mdp file differences 193s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 193s gmx mdrun -notunepme >mdrun.out 2>&1 193s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 193s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 193s PASSED but check mdp file differences 193s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 193s gmx mdrun -notunepme >mdrun.out 2>&1 193s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 193s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 193s PASSED but check mdp file differences 193s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 193s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 224s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 224s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 224s PASSED but check mdp file differences 224s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 225s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 225s gmx mdrun -notunepme >mdrun.out 2>&1 225s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 225s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 225s PASSED but check mdp file differences 225s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 225s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 225s gmx mdrun -notunepme >mdrun.out 2>&1 226s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 226s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 226s PASSED but check mdp file differences 226s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 226s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 226s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 232s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 232s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 232s PASSED but check mdp file differences 232s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 232s gmx mdrun -notunepme >mdrun.out 2>&1 232s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 232s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 232s PASSED but check mdp file differences 232s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 232s gmx mdrun -notunepme >mdrun.out 2>&1 232s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 232s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 232s PASSED but check mdp file differences 232s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 232s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 232s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing reb . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 233s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 233s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 233s PASSED but check mdp file differences 233s Testing sw . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 233s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 233s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 234s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 234s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 234s PASSED but check mdp file differences 234s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 235s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 235s gmx mdrun -notunepme >mdrun.out 2>&1 235s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 235s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 235s PASSED but check mdp file differences 235s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 235s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 235s gmx mdrun -notunepme >mdrun.out 2>&1 236s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 236s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 236s PASSED but check mdp file differences 236s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 236s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 236s gmx mdrun -notunepme >mdrun.out 2>&1 236s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 236s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 236s PASSED but check mdp file differences 236s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/reference_s.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 237s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 237s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 237s PASSED but check mdp file differences 237s Testing urea . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 237s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 237s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s Testing walls . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -notunepme >mdrun.out 2>&1 238s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 238s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 238s PASSED but check mdp file differences 238s All 48 complex tests PASSED 238s Testing coulandvdwsequential_coul . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 238s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 238s gmx mdrun -notunepme >mdrun.out 2>&1 239s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 239s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 239s PASSED but check mdp file differences 239s Testing coulandvdwsequential_vdw . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 239s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 239s gmx mdrun -notunepme >mdrun.out 2>&1 240s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 240s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 240s PASSED but check mdp file differences 240s Testing coulandvdwtogether . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 240s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 240s gmx mdrun -notunepme >mdrun.out 2>&1 241s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 241s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 241s PASSED but check mdp file differences 241s Testing expanded . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 241s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 241s gmx mdrun -notunepme >mdrun.out 2>&1 243s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 243s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 243s PASSED but check mdp file differences 243s Testing relative . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 243s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 243s gmx mdrun -notunepme >mdrun.out 2>&1 245s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 245s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 245s PASSED but check mdp file differences 245s Testing relative-position-restraints . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 245s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 245s gmx mdrun -notunepme >mdrun.out 2>&1 247s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 247s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 247s PASSED but check mdp file differences 247s Testing restraints . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 247s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 247s gmx mdrun -notunepme >mdrun.out 2>&1 269s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 269s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 269s PASSED but check mdp file differences 269s Testing simtemp . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 269s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 269s gmx mdrun -notunepme >mdrun.out 2>&1 270s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 270s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 270s PASSED but check mdp file differences 270s Testing transformAtoB . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 270s gmx mdrun -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 271s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 271s PASSED but check mdp file differences 271s Testing vdwalone . . . gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -notunepme >mdrun.out 2>&1 272s gmx check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 272s gmx check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 272s PASSED but check mdp file differences 272s All 10 freeenergy tests PASSED 272s All 0 extra tests PASSED 272s Testing linfix . . . 272s gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 272s echo 0 | gmx make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 272s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 272s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 272s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 272s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 272s Testing linacc . . . 272s gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 272s echo 0 | gmx make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 272s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 272s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 272s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 272s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 272s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 272s Testing radfix . . . 272s gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 272s echo 0 | gmx make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 272s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 272s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 272s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 272s Comparing column #4 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 272s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 272s Testing radacc . . . 272s gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 272s echo 0 | gmx make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 272s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 272s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 272s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 272s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 272s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 272s Testing radcon . . . 272s gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 272s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 272s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 272s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 272s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 272s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 272s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 272s Testing flooding1 . . . 272s gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 272s gmx mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 273s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 273s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 273s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 273s Comparing column #3 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 273s Comparing column #4 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 273s Comparing column #5 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 273s Comparing column #6 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 273s Comparing column #7 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 273s Testing flooding2 . . . 273s gmx grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 273s gmx mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 274s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 274s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 274s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 274s Comparing column #3 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 274s Comparing column #4 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 274s Comparing column #5 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 274s Comparing column #6 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 274s Comparing column #7 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 274s All 7 essential dynamics tests PASSED 274s ======================================================== 274s Starting regression tests: basic build, double precision 274s ======================================================== 275s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 275s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx_d mdrun -notunepme >mdrun.out 2>&1 275s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 275s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 275s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 275s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/reference_d.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 275s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx_d mdrun -notunepme >mdrun.out 2>&1 275s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx_d mdrun -notunepme >mdrun.out 2>&1 275s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 275s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 275s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 276s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 276s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 351s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 351s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 351s PASSED but check mdp file differences 351s Testing dec+water . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 351s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 351s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 351s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 351s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 351s PASSED but check mdp file differences 351s Testing distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 351s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 351s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 352s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 352s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 352s PASSED but check mdp file differences 352s Testing ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 352s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 352s gmx_d mdrun -notunepme >mdrun.out 2>&1 352s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 352s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 352s PASSED but check mdp file differences 352s Testing field . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 352s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 352s gmx_d mdrun -notunepme >mdrun.out 2>&1 352s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 352s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 352s PASSED but check mdp file differences 352s Testing nacl . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 352s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 352s gmx_d mdrun -notunepme >mdrun.out 2>&1 352s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 352s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 352s PASSED but check mdp file differences 352s Testing nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 352s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 352s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 353s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 353s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 353s PASSED but check mdp file differences 353s Testing nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 353s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 353s gmx_d mdrun -notunepme >mdrun.out 2>&1 353s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 353s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 353s PASSED but check mdp file differences 353s Testing nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 353s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 353s gmx_d mdrun -notunepme >mdrun.out 2>&1 353s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 353s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 353s PASSED but check mdp file differences 353s Testing nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 353s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 353s gmx_d mdrun -notunepme >mdrun.out 2>&1 353s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 353s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 353s PASSED but check mdp file differences 353s Testing nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 353s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 353s gmx_d mdrun -notunepme >mdrun.out 2>&1 354s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 354s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 354s PASSED but check mdp file differences 354s Testing nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 354s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 354s gmx_d mdrun -notunepme >mdrun.out 2>&1 354s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 354s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 354s PASSED but check mdp file differences 354s Testing nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 354s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 354s gmx_d mdrun -notunepme >mdrun.out 2>&1 355s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 355s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 355s PASSED but check mdp file differences 355s Testing nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 355s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 355s gmx_d mdrun -notunepme >mdrun.out 2>&1 355s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 355s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 355s PASSED but check mdp file differences 355s Testing nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 355s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 355s gmx_d mdrun -notunepme >mdrun.out 2>&1 355s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 355s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 355s PASSED but check mdp file differences 355s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 355s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 355s gmx_d mdrun -notunepme >mdrun.out 2>&1 355s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 355s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 355s PASSED but check mdp file differences 355s Testing nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 355s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 355s gmx_d mdrun -notunepme >mdrun.out 2>&1 355s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 355s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 355s PASSED but check mdp file differences 355s Testing nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 355s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 355s gmx_d mdrun -notunepme >mdrun.out 2>&1 356s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 356s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 356s PASSED but check mdp file differences 356s Testing nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 356s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 356s gmx_d mdrun -notunepme >mdrun.out 2>&1 356s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 356s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 356s PASSED but check mdp file differences 356s Testing nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 356s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 356s gmx_d mdrun -notunepme >mdrun.out 2>&1 356s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 356s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 356s PASSED but check mdp file differences 356s Testing nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 356s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 356s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 387s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 387s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 387s PASSED but check mdp file differences 387s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 387s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 387s gmx_d mdrun -notunepme >mdrun.out 2>&1 387s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 387s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 387s PASSED but check mdp file differences 387s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 387s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 387s gmx_d mdrun -notunepme >mdrun.out 2>&1 388s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 388s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 388s PASSED but check mdp file differences 388s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 388s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 388s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 393s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 393s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 393s PASSED but check mdp file differences 393s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 393s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 393s gmx_d mdrun -notunepme >mdrun.out 2>&1 393s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 393s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 393s PASSED but check mdp file differences 393s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 393s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 393s gmx_d mdrun -notunepme >mdrun.out 2>&1 393s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 393s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 393s PASSED but check mdp file differences 393s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 393s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 393s gmx_d mdrun -notunepme >mdrun.out 2>&1 393s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 393s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 393s PASSED but check mdp file differences 393s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 393s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 393s gmx_d mdrun -notunepme >mdrun.out 2>&1 394s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 394s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 394s PASSED but check mdp file differences 394s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 394s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 394s gmx_d mdrun -notunepme >mdrun.out 2>&1 394s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 394s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 394s PASSED but check mdp file differences 394s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 394s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 394s gmx_d mdrun -notunepme >mdrun.out 2>&1 394s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 394s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 394s PASSED but check mdp file differences 394s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 394s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 394s gmx_d mdrun -notunepme >mdrun.out 2>&1 394s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 394s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 394s PASSED but check mdp file differences 394s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 394s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 394s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 394s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 394s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 394s PASSED but check mdp file differences 394s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 394s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 394s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 395s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 395s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 395s PASSED but check mdp file differences 395s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 395s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 395s gmx_d mdrun -notunepme >mdrun.out 2>&1 396s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 396s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 396s PASSED but check mdp file differences 396s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 396s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 396s gmx_d mdrun -notunepme >mdrun.out 2>&1 396s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 396s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 396s PASSED but check mdp file differences 396s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 397s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 397s gmx_d mdrun -notunepme >mdrun.out 2>&1 397s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 397s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 397s PASSED but check mdp file differences 397s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 397s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 397s gmx_d mdrun -notunepme >mdrun.out 2>&1 398s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 398s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 398s PASSED but check mdp file differences 398s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 398s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 398s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/reference_d.edr -e2 ener.part0002.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 398s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 398s PASSED but check mdp file differences 398s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 398s gmx_d mdrun -notunepme >mdrun.out 2>&1 398s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 398s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 398s PASSED but check mdp file differences 398s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 398s gmx_d mdrun -notunepme >mdrun.out 2>&1 399s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 399s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 399s PASSED but check mdp file differences 399s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 399s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 399s gmx_d mdrun -notunepme >mdrun.out 2>&1 399s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 399s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 399s PASSED but check mdp file differences 399s All 48 complex tests PASSED 399s Testing coulandvdwsequential_coul . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 399s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 399s gmx_d mdrun -notunepme >mdrun.out 2>&1 400s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 400s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 400s PASSED but check mdp file differences 400s Testing coulandvdwsequential_vdw . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 400s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 400s gmx_d mdrun -notunepme >mdrun.out 2>&1 401s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 401s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 401s PASSED but check mdp file differences 401s Testing coulandvdwtogether . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 402s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 402s gmx_d mdrun -notunepme >mdrun.out 2>&1 402s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 402s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 402s PASSED but check mdp file differences 402s Testing expanded . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 402s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 402s gmx_d mdrun -notunepme >mdrun.out 2>&1 404s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 404s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 404s PASSED but check mdp file differences 404s Testing relative . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 404s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 404s gmx_d mdrun -notunepme >mdrun.out 2>&1 406s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 406s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 406s PASSED but check mdp file differences 406s Testing relative-position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 406s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 406s gmx_d mdrun -notunepme >mdrun.out 2>&1 408s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 408s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 408s PASSED but check mdp file differences 408s Testing restraints . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 408s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 408s gmx_d mdrun -notunepme >mdrun.out 2>&1 425s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 425s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 425s PASSED but check mdp file differences 425s Testing simtemp . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 425s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 425s gmx_d mdrun -notunepme >mdrun.out 2>&1 426s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 426s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 426s PASSED but check mdp file differences 426s Testing transformAtoB . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 426s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 426s gmx_d mdrun -notunepme >mdrun.out 2>&1 427s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 427s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 427s PASSED but check mdp file differences 427s Testing vdwalone . . . gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 427s gmx_d check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 427s gmx_d mdrun -notunepme >mdrun.out 2>&1 428s gmx_d check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 428s gmx_d check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 428s PASSED but check mdp file differences 428s All 10 freeenergy tests PASSED 428s All 0 extra tests PASSED 428s Testing linfix . . . 428s gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 428s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 428s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 428s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 428s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 428s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 428s Testing linacc . . . 428s gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 428s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 428s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 428s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 428s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 428s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 428s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 428s Testing radfix . . . 428s gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 428s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 428s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 428s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 428s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 428s Comparing column #4 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 428s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 428s Testing radacc . . . 428s gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 428s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 428s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 428s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 428s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 428s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 428s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 428s Testing radcon . . . 428s gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 428s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 428s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 428s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 428s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 428s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 428s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 428s Testing flooding1 . . . 428s gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 428s gmx_d mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 428s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 428s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 428s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 428s Comparing column #3 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 428s Comparing column #4 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 428s Comparing column #5 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 428s Comparing column #6 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 428s Comparing column #7 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 428s Testing flooding2 . . . 428s gmx_d grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 429s gmx_d mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 430s Comparing column #0 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 430s Comparing column #1 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 430s Comparing column #2 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 430s Comparing column #3 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 430s Comparing column #4 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 430s Comparing column #5 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 430s Comparing column #6 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 430s Comparing column #7 of .xvg files /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 430s All 7 essential dynamics tests PASSED 430s ============================================================= 430s Starting regression tests: MPI build, single precision (only) 430s ============================================================= 430s Will test on 4 MPI ranks (if possible) 430s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 430s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 430s 430s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 430s FAILED. Check mdrun.out, md.log file(s) in acetonitrilRF for acetonitrilRF 430s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 430s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 430s 430s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 430s FAILED. Check mdrun.out, md.log file(s) in aminoacids for aminoacids 430s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 430s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 430s 430s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 430s FAILED. Check mdrun.out, md.log file(s) in argon for argon 430s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 430s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 430s 430s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1' was -1 430s FAILED. Check mdrun.out, md.log file(s) in awh_multibias for awh_multibias 430s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 430s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 430s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 430s 430s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 430s FAILED. Check mdrun.out, md.log file(s) in awh_multidim for awh_multidim 430s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 431s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 431s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 431s 431s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 431s FAILED. Check mdrun.out, md.log file(s) in butane for butane 431s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 431s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 431s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 431s 431s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 431s FAILED. Check mdrun.out, md.log file(s) in cbt for cbt 431s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 431s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 431s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 431s 431s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 431s FAILED. Check mdrun.out, md.log file(s) in dd121 for dd121 431s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 431s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 431s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 431s 431s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 431s FAILED. Check mdrun.out, md.log file(s) in dec+water for dec+water 431s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 431s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 431s mpirun -np 1 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 431s gmx_mpi check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 431s gmx_mpi check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 431s PASSED but check mdp file differences 431s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 431s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 431s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 431s 431s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 431s FAILED. Check mdrun.out, md.log file(s) in ethyleenglycol for ethyleenglycol 431s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 431s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 431s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 431s 431s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 431s FAILED. Check mdrun.out, md.log file(s) in field for field 431s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nacl for nacl 432s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-energy-groups for nbnxn-energy-groups 432s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy for nbnxn-free-energy 432s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-free-energy-vv for nbnxn-free-energy-vv 432s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-geometric for nbnxn-ljpme-geometric 432s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB for nbnxn-ljpme-LB 432s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-ljpme-LB-geometric for nbnxn-ljpme-LB-geometric 432s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-force-switch for nbnxn-vdw-force-switch 432s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch for nbnxn-vdw-potential-switch 432s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn-vdw-potential-switch-argon for nbnxn-vdw-potential-switch-argon 432s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme for nbnxn_pme 432s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order5 for nbnxn_pme_order5 432s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn_pme_order6 for nbnxn_pme_order6 432s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rf for nbnxn_rf 432s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn_rzero for nbnxn_rzero 432s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 432s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 432s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 432s 432s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 432s FAILED. Check mdrun.out, md.log file(s) in nbnxn_vsite for nbnxn_vsite 432s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 433s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 433s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 433s 433s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 433s FAILED. Check mdrun.out, md.log file(s) in nst_mismatch for nst_mismatch 433s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 433s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 433s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 433s 433s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 433s FAILED. Check mdrun.out, md.log file(s) in octahedron for octahedron 433s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 433s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 433s mpirun -np 1 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s gmx_mpi check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 439s gmx_mpi check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 439s PASSED but check mdp file differences 439s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in position-restraints for position-restraints 439s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in pr-vrescale for pr-vrescale 439s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in pull_constraint for pull_constraint 439s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in pull_cylinder for pull_cylinder 439s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle for pull_geometry_angle 439s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_angle-axis for pull_geometry_angle-axis 439s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in pull_geometry_dihedral for pull_geometry_dihedral 439s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 439s 439s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1' was -1 439s FAILED. Check mdrun.out, md.log file(s) in reb for reb 439s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 439s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 439s mpirun -np 1 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 442s gmx_mpi check -e /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 442s gmx_mpi check -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 442s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 442s 442s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 442s FAILED. Check mdrun.out, md.log file(s) in swap_x for swap_x 442s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 442s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 442s 442s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 442s FAILED. Check mdrun.out, md.log file(s) in swap_y for swap_y 442s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 442s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 443s 443s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 443s FAILED. Check mdrun.out, md.log file(s) in swap_z for swap_z 443s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 443s 443s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 443s FAILED. Check mdrun.out, md.log file(s) in tip4p for tip4p 443s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 443s 443s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1' was -1 443s FAILED. Check mdrun.out, md.log file(s) in tip4p_continue for tip4p_continue 443s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 443s 443s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 443s FAILED. Check mdrun.out, md.log file(s) in tip4pflex for tip4pflex 443s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 443s 443s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 443s FAILED. Check mdrun.out, md.log file(s) in urea for urea 443s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 443s 443s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 443s FAILED. Check mdrun.out, md.log file(s) in walls for walls 443s 45 out of 48 complex tests FAILED 443s Testing coulandvdwsequential_coul . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/topol -maxwarn 10 >grompp.out 2>grompp.err 443s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 443s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1 443s 443s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_coul gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 443s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_coul for coulandvdwsequential_coul 443s Testing coulandvdwsequential_vdw . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwsequential_vdw gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in coulandvdwsequential_vdw for coulandvdwsequential_vdw 444s Testing coulandvdwtogether . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/coulandvdwtogether gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in coulandvdwtogether for coulandvdwtogether 444s Testing expanded . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/expanded gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in expanded for expanded 444s Testing relative . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in relative for relative 444s Testing relative-position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/relative-position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in relative-position-restraints for relative-position-restraints 444s Testing restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in restraints for restraints 444s Testing simtemp . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/simtemp gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in simtemp for simtemp 444s Testing transformAtoB . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/transformAtoB gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in transformAtoB for transformAtoB 444s Testing vdwalone . . . gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/topol -maxwarn 10 >grompp.out 2>grompp.err 444s gmx_mpi check -s1 /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/freeenergy/vdwalone gmx_mpi mdrun -notunepme >mdrun.out 2>&1' was -1 444s FAILED. Check mdrun.out, md.log file(s) in vdwalone for vdwalone 444s 10 out of 10 freeenergy tests FAILED 444s All 0 extra tests PASSED 444s Testing linfix . . . 444s gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 444s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1' was -1 444s Testing linacc . . . 444s gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 444s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 444s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 444s 444s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1' was -1 444s Testing radfix . . . 444s gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 445s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix/eigenvec.trr -outfrq 1 -radfix 1-2 -radstep 0.002 -o sam.edi 1>make_edi.out 2>make_edi.err 445s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 445s 445s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1' was -1 445s Testing radacc . . . 445s gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 445s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 445s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 445s 445s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1' was -1 445s Testing radcon . . . 445s gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 445s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 445s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 445s 445s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1' was -1 445s Testing flooding1 . . . 445s gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 445s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 445s 445s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1' was -1 445s Testing flooding2 . . . 445s gmx_mpi grompp -f /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 445s mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 445s 445s Abnormal return value for 'mpirun -np 4 -wdir /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.8tyyq5/build.QnL/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1' was -1 445s Essential dynamics tests FAILED with 7 errors! 445s autopkgtest [21:19:19]: test gromacs-regressiontests: -----------------------] 446s gromacs-regressiontests FAIL non-zero exit status 1 446s autopkgtest [21:19:20]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 446s autopkgtest [21:19:20]: @@@@@@@@@@@@@@@@@@@@ summary 446s gromacs-regressiontests FAIL non-zero exit status 1 457s nova [W] Using flock in prodstack6-s390x 457s Creating nova instance adt-plucky-s390x-gromacs-20241116-195519-juju-7f2275-prod-proposed-migration-environment-20-e4cdc520-8b6f-4584-add7-3d8350549de6 from image adt/ubuntu-plucky-s390x-server-20241116.img (UUID 8b9ebbc2-c07a-4d37-971c-9f6c1dec30a1)...