0s autopkgtest [22:34:00]: starting date and time: 2025-05-01 22:34:00+0000 0s autopkgtest [22:34:00]: git checkout: 9986aa8c Merge branch 'skia/fix_network_interface' into 'ubuntu/production' 0s autopkgtest [22:34:00]: host juju-7f2275-prod-proposed-migration-environment-15; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.eny4gdv_/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:isa-support --apt-upgrade gromacs --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 --env=ADT_TEST_TRIGGERS=isa-support/27 -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest-s390x --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-15@bos03-s390x-15.secgroup --name adt-questing-s390x-gromacs-20250501-223400-juju-7f2275-prod-proposed-migration-environment-15-d540a8ca-b950-4ef1-b5ea-539eac6564d6 --image adt/ubuntu-questing-s390x-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-15 --net-id=net_prod-proposed-migration-s390x -e TERM=linux --mirror=http://ftpmaster.internal/ubuntu/ 120s autopkgtest [22:36:00]: testbed dpkg architecture: s390x 120s autopkgtest [22:36:00]: testbed apt version: 3.0.0 120s autopkgtest [22:36:00]: @@@@@@@@@@@@@@@@@@@@ test bed setup 120s autopkgtest [22:36:00]: testbed release detected to be: None 121s autopkgtest [22:36:01]: updating testbed package index (apt update) 121s Get:1 http://ftpmaster.internal/ubuntu questing-proposed InRelease [110 kB] 122s Hit:2 http://ftpmaster.internal/ubuntu questing InRelease 122s Hit:3 http://ftpmaster.internal/ubuntu questing-updates InRelease 122s Hit:4 http://ftpmaster.internal/ubuntu questing-security InRelease 122s Get:5 http://ftpmaster.internal/ubuntu questing-proposed/universe Sources [2255 kB] 122s Get:6 http://ftpmaster.internal/ubuntu questing-proposed/multiverse Sources [57.4 kB] 122s Get:7 http://ftpmaster.internal/ubuntu questing-proposed/main Sources [179 kB] 122s Get:8 http://ftpmaster.internal/ubuntu questing-proposed/main s390x Packages [183 kB] 122s Get:9 http://ftpmaster.internal/ubuntu questing-proposed/universe s390x Packages [449 kB] 122s Get:10 http://ftpmaster.internal/ubuntu questing-proposed/multiverse s390x Packages [2196 B] 122s Fetched 3236 kB in 1s (2716 kB/s) 123s Reading package lists... 123s autopkgtest [22:36:03]: upgrading testbed (apt dist-upgrade and autopurge) 124s Reading package lists... 124s Building dependency tree... 124s Reading state information... 124s Calculating upgrade...Starting pkgProblemResolver with broken count: 0 124s Starting 2 pkgProblemResolver with broken count: 0 124s Done 124s Entering ResolveByKeep 124s 124s Calculating upgrade... 124s The following packages will be upgraded: 124s dpkg dpkg-dev libdpkg-perl 124s 3 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 124s Need to get 2667 kB of archives. 124s After this operation, 1024 B of additional disk space will be used. 124s Get:1 http://ftpmaster.internal/ubuntu questing/main s390x dpkg s390x 1.22.18ubuntu3 [1297 kB] 125s Get:2 http://ftpmaster.internal/ubuntu questing/main s390x dpkg-dev all 1.22.18ubuntu3 [1089 kB] 125s Get:3 http://ftpmaster.internal/ubuntu questing/main s390x libdpkg-perl all 1.22.18ubuntu3 [281 kB] 125s Fetched 2667 kB in 1s (3973 kB/s) 125s (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 ... 81472 files and directories currently installed.) 125s Preparing to unpack .../dpkg_1.22.18ubuntu3_s390x.deb ... 125s Unpacking dpkg (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 126s Setting up dpkg (1.22.18ubuntu3) ... 126s (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 ... 81472 files and directories currently installed.) 126s Preparing to unpack .../dpkg-dev_1.22.18ubuntu3_all.deb ... 126s Unpacking dpkg-dev (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 126s Preparing to unpack .../libdpkg-perl_1.22.18ubuntu3_all.deb ... 126s Unpacking libdpkg-perl (1.22.18ubuntu3) over (1.22.18ubuntu2) ... 126s Setting up libdpkg-perl (1.22.18ubuntu3) ... 126s Setting up dpkg-dev (1.22.18ubuntu3) ... 126s Processing triggers for man-db (2.13.0-1) ... 127s Reading package lists... 128s Building dependency tree... 128s Reading state information... 128s Starting pkgProblemResolver with broken count: 0 128s Starting 2 pkgProblemResolver with broken count: 0 128s Done 128s Solving dependencies... 128s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 128s autopkgtest [22:36:08]: rebooting testbed after setup commands that affected boot 149s autopkgtest [22:36:29]: testbed running kernel: Linux 6.14.0-15-generic #15-Ubuntu SMP Sun Apr 6 13:39:00 UTC 2025 151s autopkgtest [22:36:31]: @@@@@@@@@@@@@@@@@@@@ apt-source gromacs 160s Get:1 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (dsc) [3276 B] 160s Get:2 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (tar) [32.7 MB] 160s Get:3 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (tar) [44.4 MB] 160s Get:4 http://ftpmaster.internal/ubuntu questing/universe gromacs 2025.0-2 (diff) [37.2 kB] 160s gpgv: Signature made Sat Feb 15 18:26:26 2025 UTC 160s gpgv: using RSA key 843E5FA61E6063389876D2E5EE4AFD69EC65108F 160s gpgv: issuer "nbreen@debian.org" 160s gpgv: Can't check signature: No public key 160s dpkg-source: warning: cannot verify inline signature for ./gromacs_2025.0-2.dsc: no acceptable signature found 161s autopkgtest [22:36:41]: testing package gromacs version 2025.0-2 162s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture s390x isn't listed. 162s autopkgtest [22:36:42]: build not needed 175s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture s390x isn't listed. 175s autopkgtest [22:36:55]: test gromacs-regressiontests: preparing testbed 175s Reading package lists... 175s Building dependency tree... 175s Reading state information... 175s Starting pkgProblemResolver with broken count: 0 175s Starting 2 pkgProblemResolver with broken count: 0 175s Done 175s The following NEW packages will be installed: 175s build-essential cpp cpp-14 cpp-14-s390x-linux-gnu cpp-s390x-linux-gnu 175s fonts-mathjax g++ g++-14 g++-14-s390x-linux-gnu g++-s390x-linux-gnu gcc 175s gcc-14 gcc-14-s390x-linux-gnu gcc-s390x-linux-gnu gromacs gromacs-data 175s libasan8 libblas3 libcc1-0 libevent-pthreads-2.1-7t64 libfabric1 175s libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 libfftw3-single3 175s libgcc-14-dev libgfortran5 libgomp1 libgromacs-dev libgromacs10 175s libhwloc-plugins libhwloc15 libisl23 libitm1 libjs-mathjax liblapack3 175s libmpc3 libmunge2 libmuparser2v5 libnblib-gmx-dev libnblib-gmx0 libopenmpi40 175s libpciaccess0 libpmix2t64 librdmacm1t64 libstdc++-14-dev libubsan1 175s libxnvctrl0 mpi-default-bin ocl-icd-libopencl1 openmpi-bin openmpi-common 175s 0 upgraded, 53 newly installed, 0 to remove and 0 not upgraded. 175s Need to get 141 MB of archives. 175s After this operation, 658 MB of additional disk space will be used. 175s Get:1 http://ftpmaster.internal/ubuntu questing/main s390x libisl23 s390x 0.27-1 [704 kB] 176s Get:2 http://ftpmaster.internal/ubuntu questing/main s390x libmpc3 s390x 1.3.1-1build2 [57.8 kB] 176s Get:3 http://ftpmaster.internal/ubuntu questing/main s390x cpp-14-s390x-linux-gnu s390x 14.2.0-19ubuntu2 [9572 kB] 176s Get:4 http://ftpmaster.internal/ubuntu questing/main s390x cpp-14 s390x 14.2.0-19ubuntu2 [1024 B] 176s Get:5 http://ftpmaster.internal/ubuntu questing/main s390x cpp-s390x-linux-gnu s390x 4:14.2.0-1ubuntu1 [5556 B] 176s Get:6 http://ftpmaster.internal/ubuntu questing/main s390x cpp s390x 4:14.2.0-1ubuntu1 [22.4 kB] 176s Get:7 http://ftpmaster.internal/ubuntu questing/main s390x libcc1-0 s390x 15-20250404-0ubuntu1 [49.6 kB] 176s Get:8 http://ftpmaster.internal/ubuntu questing/main s390x libgomp1 s390x 15-20250404-0ubuntu1 [152 kB] 176s Get:9 http://ftpmaster.internal/ubuntu questing/main s390x libitm1 s390x 15-20250404-0ubuntu1 [31.2 kB] 176s Get:10 http://ftpmaster.internal/ubuntu questing/main s390x libasan8 s390x 15-20250404-0ubuntu1 [2966 kB] 177s Get:11 http://ftpmaster.internal/ubuntu questing/main s390x libubsan1 s390x 15-20250404-0ubuntu1 [1210 kB] 177s Get:12 http://ftpmaster.internal/ubuntu questing/main s390x libgcc-14-dev s390x 14.2.0-19ubuntu2 [1037 kB] 177s Get:13 http://ftpmaster.internal/ubuntu questing/main s390x gcc-14-s390x-linux-gnu s390x 14.2.0-19ubuntu2 [18.7 MB] 177s Get:14 http://ftpmaster.internal/ubuntu questing/main s390x gcc-14 s390x 14.2.0-19ubuntu2 [529 kB] 177s Get:15 http://ftpmaster.internal/ubuntu questing/main s390x gcc-s390x-linux-gnu s390x 4:14.2.0-1ubuntu1 [1204 B] 177s Get:16 http://ftpmaster.internal/ubuntu questing/main s390x gcc s390x 4:14.2.0-1ubuntu1 [5004 B] 177s Get:17 http://ftpmaster.internal/ubuntu questing/main s390x libstdc++-14-dev s390x 14.2.0-19ubuntu2 [2614 kB] 177s Get:18 http://ftpmaster.internal/ubuntu questing/main s390x g++-14-s390x-linux-gnu s390x 14.2.0-19ubuntu2 [11.0 MB] 178s Get:19 http://ftpmaster.internal/ubuntu questing/main s390x g++-14 s390x 14.2.0-19ubuntu2 [23.0 kB] 178s Get:20 http://ftpmaster.internal/ubuntu questing/main s390x g++-s390x-linux-gnu s390x 4:14.2.0-1ubuntu1 [956 B] 178s Get:21 http://ftpmaster.internal/ubuntu questing/main s390x g++ s390x 4:14.2.0-1ubuntu1 [1080 B] 178s Get:22 http://ftpmaster.internal/ubuntu questing/main s390x build-essential s390x 12.12ubuntu1 [5090 B] 178s Get:23 http://ftpmaster.internal/ubuntu questing/main s390x fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 178s Get:24 http://ftpmaster.internal/ubuntu questing/main s390x libblas3 s390x 3.12.1-2 [252 kB] 178s Get:25 http://ftpmaster.internal/ubuntu questing/main s390x libevent-pthreads-2.1-7t64 s390x 2.1.12-stable-10 [7870 B] 178s Get:26 http://ftpmaster.internal/ubuntu questing/main s390x librdmacm1t64 s390x 56.0-4ubuntu1 [74.0 kB] 178s Get:27 http://ftpmaster.internal/ubuntu questing/universe s390x libfabric1 s390x 1.17.0-3.1 [558 kB] 178s Get:28 http://ftpmaster.internal/ubuntu questing/main s390x libfftw3-double3 s390x 3.3.10-2fakesync1build1 [511 kB] 178s Get:29 http://ftpmaster.internal/ubuntu questing/main s390x libfftw3-long3 s390x 3.3.10-2fakesync1build1 [533 kB] 178s Get:30 http://ftpmaster.internal/ubuntu questing/main s390x libfftw3-single3 s390x 3.3.10-2fakesync1build1 [483 kB] 178s Get:31 http://ftpmaster.internal/ubuntu questing/main s390x libfftw3-bin s390x 3.3.10-2fakesync1build1 [36.5 kB] 178s Get:32 http://ftpmaster.internal/ubuntu questing/main s390x libfftw3-dev s390x 3.3.10-2fakesync1build1 [1329 kB] 178s Get:33 http://ftpmaster.internal/ubuntu questing/main s390x libgfortran5 s390x 15-20250404-0ubuntu1 [621 kB] 178s Get:34 http://ftpmaster.internal/ubuntu questing/universe s390x libhwloc15 s390x 2.12.0-1 [176 kB] 178s Get:35 http://ftpmaster.internal/ubuntu questing/main s390x liblapack3 s390x 3.12.1-2 [2971 kB] 179s Get:36 http://ftpmaster.internal/ubuntu questing/universe s390x libmuparser2v5 s390x 2.3.4-1 [138 kB] 179s Get:37 http://ftpmaster.internal/ubuntu questing/universe s390x libmunge2 s390x 0.5.16-1 [15.2 kB] 179s Get:38 http://ftpmaster.internal/ubuntu questing/main s390x libpciaccess0 s390x 0.17-3build1 [19.0 kB] 179s Get:39 http://ftpmaster.internal/ubuntu questing/main s390x libxnvctrl0 s390x 510.47.03-0ubuntu4 [12.7 kB] 179s Get:40 http://ftpmaster.internal/ubuntu questing/universe s390x ocl-icd-libopencl1 s390x 2.3.2-1build1 [41.1 kB] 179s Get:41 http://ftpmaster.internal/ubuntu questing/universe s390x libhwloc-plugins s390x 2.12.0-1 [16.1 kB] 179s Get:42 http://ftpmaster.internal/ubuntu questing/universe s390x libpmix2t64 s390x 5.0.6-5 [715 kB] 179s Get:43 http://ftpmaster.internal/ubuntu questing/universe s390x libopenmpi40 s390x 5.0.7-1 [2196 kB] 179s Get:44 http://ftpmaster.internal/ubuntu questing/universe s390x libgromacs10 s390x 2025.0-2 [29.2 MB] 181s Get:45 http://ftpmaster.internal/ubuntu questing/universe s390x libnblib-gmx0 s390x 2025.0-2 [257 kB] 181s Get:46 http://ftpmaster.internal/ubuntu questing/universe s390x libnblib-gmx-dev s390x 2025.0-2 [26.2 kB] 181s Get:47 http://ftpmaster.internal/ubuntu questing/universe s390x openmpi-common all 5.0.7-1 [97.9 kB] 181s Get:48 http://ftpmaster.internal/ubuntu questing/universe s390x openmpi-bin s390x 5.0.7-1 [200 kB] 181s Get:49 http://ftpmaster.internal/ubuntu questing/main s390x libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 181s Get:50 http://ftpmaster.internal/ubuntu questing/universe s390x gromacs-data all 2025.0-2 [43.8 MB] 185s Get:51 http://ftpmaster.internal/ubuntu questing/universe s390x gromacs s390x 2025.0-2 [56.8 kB] 185s Get:52 http://ftpmaster.internal/ubuntu questing/universe s390x libgromacs-dev s390x 2025.0-2 [170 kB] 185s Get:53 http://ftpmaster.internal/ubuntu questing/universe s390x mpi-default-bin s390x 1.18 [2510 B] 186s Fetched 141 MB in 10s (13.8 MB/s) 186s Selecting previously unselected package libisl23:s390x. 186s (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 ... 81472 files and directories currently installed.) 186s Preparing to unpack .../00-libisl23_0.27-1_s390x.deb ... 186s Unpacking libisl23:s390x (0.27-1) ... 186s Selecting previously unselected package libmpc3:s390x. 186s Preparing to unpack .../01-libmpc3_1.3.1-1build2_s390x.deb ... 186s Unpacking libmpc3:s390x (1.3.1-1build2) ... 186s Selecting previously unselected package cpp-14-s390x-linux-gnu. 186s Preparing to unpack .../02-cpp-14-s390x-linux-gnu_14.2.0-19ubuntu2_s390x.deb ... 186s Unpacking cpp-14-s390x-linux-gnu (14.2.0-19ubuntu2) ... 186s Selecting previously unselected package cpp-14. 186s Preparing to unpack .../03-cpp-14_14.2.0-19ubuntu2_s390x.deb ... 186s Unpacking cpp-14 (14.2.0-19ubuntu2) ... 186s Selecting previously unselected package cpp-s390x-linux-gnu. 186s Preparing to unpack .../04-cpp-s390x-linux-gnu_4%3a14.2.0-1ubuntu1_s390x.deb ... 186s Unpacking cpp-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 186s Selecting previously unselected package cpp. 186s Preparing to unpack .../05-cpp_4%3a14.2.0-1ubuntu1_s390x.deb ... 186s Unpacking cpp (4:14.2.0-1ubuntu1) ... 186s Selecting previously unselected package libcc1-0:s390x. 186s Preparing to unpack .../06-libcc1-0_15-20250404-0ubuntu1_s390x.deb ... 186s Unpacking libcc1-0:s390x (15-20250404-0ubuntu1) ... 186s Selecting previously unselected package libgomp1:s390x. 186s Preparing to unpack .../07-libgomp1_15-20250404-0ubuntu1_s390x.deb ... 186s Unpacking libgomp1:s390x (15-20250404-0ubuntu1) ... 186s Selecting previously unselected package libitm1:s390x. 186s Preparing to unpack .../08-libitm1_15-20250404-0ubuntu1_s390x.deb ... 186s Unpacking libitm1:s390x (15-20250404-0ubuntu1) ... 186s Selecting previously unselected package libasan8:s390x. 186s Preparing to unpack .../09-libasan8_15-20250404-0ubuntu1_s390x.deb ... 186s Unpacking libasan8:s390x (15-20250404-0ubuntu1) ... 186s Selecting previously unselected package libubsan1:s390x. 186s Preparing to unpack .../10-libubsan1_15-20250404-0ubuntu1_s390x.deb ... 186s Unpacking libubsan1:s390x (15-20250404-0ubuntu1) ... 186s Selecting previously unselected package libgcc-14-dev:s390x. 186s Preparing to unpack .../11-libgcc-14-dev_14.2.0-19ubuntu2_s390x.deb ... 186s Unpacking libgcc-14-dev:s390x (14.2.0-19ubuntu2) ... 186s Selecting previously unselected package gcc-14-s390x-linux-gnu. 186s Preparing to unpack .../12-gcc-14-s390x-linux-gnu_14.2.0-19ubuntu2_s390x.deb ... 186s Unpacking gcc-14-s390x-linux-gnu (14.2.0-19ubuntu2) ... 187s Selecting previously unselected package gcc-14. 187s Preparing to unpack .../13-gcc-14_14.2.0-19ubuntu2_s390x.deb ... 187s Unpacking gcc-14 (14.2.0-19ubuntu2) ... 187s Selecting previously unselected package gcc-s390x-linux-gnu. 187s Preparing to unpack .../14-gcc-s390x-linux-gnu_4%3a14.2.0-1ubuntu1_s390x.deb ... 187s Unpacking gcc-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 187s Selecting previously unselected package gcc. 187s Preparing to unpack .../15-gcc_4%3a14.2.0-1ubuntu1_s390x.deb ... 187s Unpacking gcc (4:14.2.0-1ubuntu1) ... 187s Selecting previously unselected package libstdc++-14-dev:s390x. 187s Preparing to unpack .../16-libstdc++-14-dev_14.2.0-19ubuntu2_s390x.deb ... 187s Unpacking libstdc++-14-dev:s390x (14.2.0-19ubuntu2) ... 187s Selecting previously unselected package g++-14-s390x-linux-gnu. 187s Preparing to unpack .../17-g++-14-s390x-linux-gnu_14.2.0-19ubuntu2_s390x.deb ... 187s Unpacking g++-14-s390x-linux-gnu (14.2.0-19ubuntu2) ... 187s Selecting previously unselected package g++-14. 187s Preparing to unpack .../18-g++-14_14.2.0-19ubuntu2_s390x.deb ... 187s Unpacking g++-14 (14.2.0-19ubuntu2) ... 187s Selecting previously unselected package g++-s390x-linux-gnu. 187s Preparing to unpack .../19-g++-s390x-linux-gnu_4%3a14.2.0-1ubuntu1_s390x.deb ... 187s Unpacking g++-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 187s Selecting previously unselected package g++. 187s Preparing to unpack .../20-g++_4%3a14.2.0-1ubuntu1_s390x.deb ... 187s Unpacking g++ (4:14.2.0-1ubuntu1) ... 187s Selecting previously unselected package build-essential. 187s Preparing to unpack .../21-build-essential_12.12ubuntu1_s390x.deb ... 187s Unpacking build-essential (12.12ubuntu1) ... 187s Selecting previously unselected package fonts-mathjax. 187s Preparing to unpack .../22-fonts-mathjax_2.7.9+dfsg-1_all.deb ... 187s Unpacking fonts-mathjax (2.7.9+dfsg-1) ... 187s Selecting previously unselected package libblas3:s390x. 187s Preparing to unpack .../23-libblas3_3.12.1-2_s390x.deb ... 187s Unpacking libblas3:s390x (3.12.1-2) ... 187s Selecting previously unselected package libevent-pthreads-2.1-7t64:s390x. 187s Preparing to unpack .../24-libevent-pthreads-2.1-7t64_2.1.12-stable-10_s390x.deb ... 187s Unpacking libevent-pthreads-2.1-7t64:s390x (2.1.12-stable-10) ... 187s Selecting previously unselected package librdmacm1t64:s390x. 187s Preparing to unpack .../25-librdmacm1t64_56.0-4ubuntu1_s390x.deb ... 187s Unpacking librdmacm1t64:s390x (56.0-4ubuntu1) ... 187s Selecting previously unselected package libfabric1:s390x. 187s Preparing to unpack .../26-libfabric1_1.17.0-3.1_s390x.deb ... 187s Unpacking libfabric1:s390x (1.17.0-3.1) ... 187s Selecting previously unselected package libfftw3-double3:s390x. 187s Preparing to unpack .../27-libfftw3-double3_3.3.10-2fakesync1build1_s390x.deb ... 187s Unpacking libfftw3-double3:s390x (3.3.10-2fakesync1build1) ... 187s Selecting previously unselected package libfftw3-long3:s390x. 187s Preparing to unpack .../28-libfftw3-long3_3.3.10-2fakesync1build1_s390x.deb ... 187s Unpacking libfftw3-long3:s390x (3.3.10-2fakesync1build1) ... 187s Selecting previously unselected package libfftw3-single3:s390x. 187s Preparing to unpack .../29-libfftw3-single3_3.3.10-2fakesync1build1_s390x.deb ... 187s Unpacking libfftw3-single3:s390x (3.3.10-2fakesync1build1) ... 187s Selecting previously unselected package libfftw3-bin. 187s Preparing to unpack .../30-libfftw3-bin_3.3.10-2fakesync1build1_s390x.deb ... 187s Unpacking libfftw3-bin (3.3.10-2fakesync1build1) ... 187s Selecting previously unselected package libfftw3-dev:s390x. 187s Preparing to unpack .../31-libfftw3-dev_3.3.10-2fakesync1build1_s390x.deb ... 187s Unpacking libfftw3-dev:s390x (3.3.10-2fakesync1build1) ... 187s Selecting previously unselected package libgfortran5:s390x. 187s Preparing to unpack .../32-libgfortran5_15-20250404-0ubuntu1_s390x.deb ... 187s Unpacking libgfortran5:s390x (15-20250404-0ubuntu1) ... 187s Selecting previously unselected package libhwloc15:s390x. 187s Preparing to unpack .../33-libhwloc15_2.12.0-1_s390x.deb ... 187s Unpacking libhwloc15:s390x (2.12.0-1) ... 187s Selecting previously unselected package liblapack3:s390x. 187s Preparing to unpack .../34-liblapack3_3.12.1-2_s390x.deb ... 187s Unpacking liblapack3:s390x (3.12.1-2) ... 187s Selecting previously unselected package libmuparser2v5:s390x. 187s Preparing to unpack .../35-libmuparser2v5_2.3.4-1_s390x.deb ... 187s Unpacking libmuparser2v5:s390x (2.3.4-1) ... 187s Selecting previously unselected package libmunge2:s390x. 187s Preparing to unpack .../36-libmunge2_0.5.16-1_s390x.deb ... 187s Unpacking libmunge2:s390x (0.5.16-1) ... 187s Selecting previously unselected package libpciaccess0:s390x. 187s Preparing to unpack .../37-libpciaccess0_0.17-3build1_s390x.deb ... 187s Unpacking libpciaccess0:s390x (0.17-3build1) ... 187s Selecting previously unselected package libxnvctrl0:s390x. 187s 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gcc-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 190s Setting up g++-14-s390x-linux-gnu (14.2.0-19ubuntu2) ... 190s Setting up cpp (4:14.2.0-1ubuntu1) ... 190s Setting up libgromacs10:s390x (2025.0-2) ... 190s Setting up libnblib-gmx0:s390x (2025.0-2) ... 190s Setting up libfftw3-dev:s390x (3.3.10-2fakesync1build1) ... 190s Setting up openmpi-bin (5.0.7-1) ... 190s update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode 190s 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 190s update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode 190s Setting up libnblib-gmx-dev (2025.0-2) ... 190s Setting up mpi-default-bin (1.18) ... 190s Setting up g++-s390x-linux-gnu (4:14.2.0-1ubuntu1) ... 190s Setting up gromacs (2025.0-2) ... 190s Setting up gcc-14 (14.2.0-19ubuntu2) ... 190s Setting up libgromacs-dev (2025.0-2) ... 190s Setting up g++-14 (14.2.0-19ubuntu2) ... 190s Setting up gcc (4:14.2.0-1ubuntu1) ... 190s Setting up g++ (4:14.2.0-1ubuntu1) ... 190s update-alternatives: using /usr/bin/g++ to provide /usr/bin/c++ (c++) in auto mode 190s Setting up build-essential (12.12ubuntu1) ... 190s Processing triggers for man-db (2.13.0-1) ... 191s Processing triggers for libc-bin (2.41-6ubuntu1) ... 193s autopkgtest [22:37:13]: test gromacs-regressiontests: [----------------------- 193s ======================================================== 193s Starting regression tests: basic build, single precision 193s ======================================================== 193s Testing acetonitrilRF . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 193s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 193s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/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.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/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 aminoacids . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 193s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/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 194s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 194s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 194s PASSED but check mdp file differences 194s Testing argon . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 194s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 194s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 194s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 194s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 194s PASSED but check mdp file differences 194s Testing awh_multibias . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 194s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 194s gmx mdrun -notunepme -cpi /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 194s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 194s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 194s PASSED but check mdp file differences 194s Testing awh_multidim . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 194s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 194s gmx mdrun -notunepme >mdrun.out 2>&1 194s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 194s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 194s PASSED but check mdp file differences 194s Testing butane . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 194s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 194s gmx mdrun -notunepme >mdrun.out 2>&1 194s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 194s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 194s PASSED but check mdp file differences 194s Testing cbt . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 194s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 194s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 194s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 194s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 194s PASSED but check mdp file differences 194s Testing dd121 . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 194s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 194s gmx mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 270s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/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.hUVDfF/build.j9O/src/regressiontests/complex/dd121/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 dec+water . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 270s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 270s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/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.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/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 distance_restraints . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 270s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 270s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/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.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/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 ethyleenglycol . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/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 270s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/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.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/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 field . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 270s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/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 270s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/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.hUVDfF/build.j9O/src/regressiontests/complex/field/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 nacl . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/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 271s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/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.hUVDfF/build.j9O/src/regressiontests/complex/nacl/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 nbnxn-energy-groups . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 271s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 271s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 271s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/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 nbnxn-free-energy . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/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 271s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 271s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/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 nbnxn-free-energy-vv . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/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 271s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 271s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/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 nbnxn-ljpme-geometric . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 271s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/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.hUVDfF/build.j9O/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 272s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/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 Testing nbnxn-ljpme-LB . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 272s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 272s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 273s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn-ljpme-LB-geometric . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 273s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn-vdw-force-switch . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 273s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 273s PASSED but check mdp file differences 273s Testing nbnxn-vdw-potential-switch . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 273s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 273s gmx mdrun -notunepme >mdrun.out 2>&1 273s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 273s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn-vdw-potential-switch-argon . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/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 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 274s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/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 274s PASSED but check mdp file differences 274s Testing nbnxn_pme . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_pme_order5 . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 274s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_pme_order6 . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 274s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_rf . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 274s PASSED but check mdp file differences 274s Testing nbnxn_rzero . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 274s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 274s gmx mdrun -notunepme >mdrun.out 2>&1 274s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 274s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 275s PASSED but check mdp file differences 275s Testing nbnxn_vsite . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 275s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 275s gmx mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 303s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 303s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 303s PASSED but check mdp file differences 303s Testing nst_mismatch . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s gmx mdrun -notunepme >mdrun.out 2>&1 304s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 304s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 304s PASSED but check mdp file differences 304s Testing octahedron . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 304s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 304s gmx mdrun -notunepme >mdrun.out 2>&1 305s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 305s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 305s PASSED but check mdp file differences 305s Testing orientation-restraints . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 305s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 305s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 311s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing position-restraints . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s gmx mdrun -notunepme >mdrun.out 2>&1 311s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing pr-vrescale . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 311s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 311s gmx mdrun -notunepme >mdrun.out 2>&1 311s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 311s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 311s PASSED but check mdp file differences 311s Testing pull_constraint . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pull_cylinder . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pull_geometry_angle . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 312s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pull_geometry_angle-axis . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 312s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing pull_geometry_dihedral . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 312s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing reb . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -nb cpu -notunepme >mdrun.out 2>&1 312s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 312s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 312s PASSED but check mdp file differences 312s Testing sw . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 312s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 312s gmx mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 313s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 313s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 313s PASSED but check mdp file differences 313s Testing swap_x . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 314s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 314s gmx mdrun -notunepme >mdrun.out 2>&1 314s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 314s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 314s PASSED but check mdp file differences 314s Testing swap_y . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 315s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx mdrun -notunepme >mdrun.out 2>&1 315s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 315s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 315s PASSED but check mdp file differences 315s Testing swap_z . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 315s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 315s gmx mdrun -notunepme >mdrun.out 2>&1 316s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 316s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 316s PASSED but check mdp file differences 316s Testing tip4p . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 316s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 316s gmx mdrun -notunepme >mdrun.out 2>&1 316s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 316s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 316s PASSED but check mdp file differences 316s Testing tip4p_continue . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 316s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 316s gmx mdrun -notunepme -cpi /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 316s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 316s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 316s PASSED but check mdp file differences 316s Testing tip4pflex . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 316s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 316s gmx mdrun -notunepme >mdrun.out 2>&1 317s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 317s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 317s PASSED but check mdp file differences 317s Testing urea . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 317s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 317s gmx mdrun -notunepme >mdrun.out 2>&1 317s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 317s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 317s PASSED but check mdp file differences 317s Testing walls . . . gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 317s gmx check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 317s gmx mdrun -notunepme >mdrun.out 2>&1 317s gmx check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 317s gmx check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 317s PASSED but check mdp file differences 317s All 48 complex tests PASSED 317s All 0 extra tests PASSED 317s Testing linfix . . . 317s gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 317s echo 0 | gmx make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 317s gmx mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 317s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 317s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 317s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 317s Testing linacc . . . 317s gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 317s echo 0 | gmx make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 317s gmx mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 317s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 317s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 317s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 317s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 317s Testing radfix . . . 317s gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 317s echo 0 | gmx make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/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 317s gmx mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 317s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 317s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 317s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 317s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 317s Testing radacc . . . 317s gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 317s echo 0 | gmx make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 317s gmx mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 317s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 317s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 317s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 317s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 317s Testing radcon . . . 317s gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 317s echo 0 0 | gmx make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 317s gmx mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 317s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 317s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 317s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 317s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 317s Testing flooding1 . . . 317s gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 318s gmx mdrun -ei /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 318s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 318s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 318s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 318s Comparing column #3 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 318s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 318s Comparing column #5 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 318s Comparing column #6 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 318s Comparing column #7 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 318s Testing flooding2 . . . 318s gmx grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 318s gmx mdrun -ei /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 320s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 320s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 320s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 320s Comparing column #3 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 320s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 320s Comparing column #5 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 320s Comparing column #6 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 320s Comparing column #7 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 320s All 7 essential dynamics tests PASSED 320s ======================================================== 320s Starting regression tests: basic build, double precision 320s ======================================================== 320s Testing acetonitrilRF . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 320s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 320s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 320s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 320s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing aminoacids . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 320s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 320s gmx_d mdrun -notunepme >mdrun.out 2>&1 320s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 320s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing argon . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 320s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 320s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 320s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 320s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing awh_multibias . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 320s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 320s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 320s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 320s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 320s PASSED but check mdp file differences 320s Testing awh_multidim . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 320s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 321s gmx_d mdrun -notunepme >mdrun.out 2>&1 321s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 321s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 321s PASSED but check mdp file differences 321s Testing butane . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 321s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 321s gmx_d mdrun -notunepme >mdrun.out 2>&1 321s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 321s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 321s PASSED but check mdp file differences 321s Testing cbt . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 321s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 321s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 321s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 321s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 321s PASSED but check mdp file differences 321s Testing dd121 . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 321s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 321s gmx_d mdrun -ntmpi 12 -notunepme >mdrun.out 2>&1 397s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/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.hUVDfF/build.j9O/src/regressiontests/complex/dd121/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 dec+water . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 397s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 397s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 397s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/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.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/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 distance_restraints . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 397s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 397s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 398s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/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.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/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 ethyleenglycol . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/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.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/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.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/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 field . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/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.hUVDfF/build.j9O/src/regressiontests/complex/field/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.hUVDfF/build.j9O/src/regressiontests/complex/field/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 nacl . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/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.hUVDfF/build.j9O/src/regressiontests/complex/nacl/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.hUVDfF/build.j9O/src/regressiontests/complex/nacl/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 nbnxn-energy-groups . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 398s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 398s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 399s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 399s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/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 nbnxn-free-energy . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 399s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/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.hUVDfF/build.j9O/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 399s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/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 nbnxn-free-energy-vv . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 399s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/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.hUVDfF/build.j9O/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 399s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/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 nbnxn-ljpme-geometric . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 399s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/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.hUVDfF/build.j9O/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 399s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/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 nbnxn-ljpme-LB . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 399s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/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.hUVDfF/build.j9O/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 400s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/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 nbnxn-ljpme-LB-geometric . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 400s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/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.hUVDfF/build.j9O/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 401s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/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 nbnxn-vdw-force-switch . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 401s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 401s gmx_d mdrun -notunepme >mdrun.out 2>&1 401s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 401s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/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 nbnxn-vdw-potential-switch . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 401s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 401s gmx_d mdrun -notunepme >mdrun.out 2>&1 401s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 401s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/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 nbnxn-vdw-potential-switch-argon . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 401s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/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 401s gmx_d mdrun -notunepme >mdrun.out 2>&1 401s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 401s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/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 401s PASSED but check mdp file differences 401s Testing nbnxn_pme . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 401s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 401s gmx_d mdrun -notunepme >mdrun.out 2>&1 401s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/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.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/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 nbnxn_pme_order5 . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 401s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 401s gmx_d mdrun -notunepme >mdrun.out 2>&1 402s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 402s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/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 nbnxn_pme_order6 . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 402s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/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.hUVDfF/build.j9O/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 402s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/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 nbnxn_rf . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 402s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/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.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/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.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/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 nbnxn_rzero . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 402s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/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.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/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.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/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 nbnxn_vsite . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 402s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 402s gmx_d mdrun -ntmpi 6 -notunepme >mdrun.out 2>&1 434s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 434s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 434s PASSED but check mdp file differences 434s Testing nst_mismatch . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 434s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 434s gmx_d mdrun -notunepme >mdrun.out 2>&1 435s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 435s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 435s PASSED but check mdp file differences 435s Testing octahedron . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 435s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 435s gmx_d mdrun -notunepme >mdrun.out 2>&1 436s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 436s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 436s PASSED but check mdp file differences 436s Testing orientation-restraints . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 436s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 436s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 441s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 441s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 441s PASSED but check mdp file differences 441s Testing position-restraints . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 441s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 441s gmx_d mdrun -notunepme >mdrun.out 2>&1 441s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 441s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 441s PASSED but check mdp file differences 441s Testing pr-vrescale . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 441s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 441s gmx_d mdrun -notunepme >mdrun.out 2>&1 441s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 441s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 441s PASSED but check mdp file differences 441s Testing pull_constraint . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 442s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s gmx_d mdrun -notunepme >mdrun.out 2>&1 442s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 442s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing pull_cylinder . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 442s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s gmx_d mdrun -notunepme >mdrun.out 2>&1 442s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 442s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing pull_geometry_angle . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 442s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s gmx_d mdrun -notunepme >mdrun.out 2>&1 442s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 442s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing pull_geometry_angle-axis . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 442s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s gmx_d mdrun -notunepme >mdrun.out 2>&1 442s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 442s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing pull_geometry_dihedral . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 442s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s gmx_d mdrun -notunepme >mdrun.out 2>&1 442s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 442s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing reb . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 442s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s gmx_d mdrun -nb cpu -notunepme >mdrun.out 2>&1 442s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 442s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 442s PASSED but check mdp file differences 442s Testing sw . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 442s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 442s gmx_d mdrun -ntmpi 1 -notunepme >mdrun.out 2>&1 443s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 443s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 443s PASSED but check mdp file differences 443s Testing swap_x . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 444s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s gmx_d mdrun -notunepme >mdrun.out 2>&1 444s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 444s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 444s PASSED but check mdp file differences 444s Testing swap_y . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 444s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 444s gmx_d mdrun -notunepme >mdrun.out 2>&1 445s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 445s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 445s PASSED but check mdp file differences 445s Testing swap_z . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 445s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 445s gmx_d mdrun -notunepme >mdrun.out 2>&1 446s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 446s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 446s PASSED but check mdp file differences 446s Testing tip4p . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 446s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 446s gmx_d mdrun -notunepme >mdrun.out 2>&1 446s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 446s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 446s PASSED but check mdp file differences 446s Testing tip4p_continue . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 447s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 447s gmx_d mdrun -notunepme -cpi /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 447s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 447s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/reference_d.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 447s PASSED but check mdp file differences 447s Testing tip4pflex . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 447s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 447s gmx_d mdrun -notunepme >mdrun.out 2>&1 447s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 447s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 447s PASSED but check mdp file differences 447s Testing urea . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 447s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 447s gmx_d mdrun -notunepme >mdrun.out 2>&1 447s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 447s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 447s PASSED but check mdp file differences 447s Testing walls . . . gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 448s gmx_d check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_d.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 448s gmx_d mdrun -notunepme >mdrun.out 2>&1 448s gmx_d check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_d.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 448s gmx_d check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_d.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 448s PASSED but check mdp file differences 448s All 48 complex tests PASSED 448s All 0 extra tests PASSED 448s Testing linfix . . . 448s gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 448s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 448s gmx_d mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 448s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 448s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 448s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 448s Testing linacc . . . 448s gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 448s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 448s gmx_d mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 448s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 448s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 448s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 448s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 448s Testing radfix . . . 448s gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 448s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/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 448s gmx_d mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 448s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 448s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 448s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 448s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 448s Testing radacc . . . 448s gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 448s echo 0 | gmx_d make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 448s gmx_d mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 448s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 448s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 448s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 448s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 448s Testing radcon . . . 448s gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 448s echo 0 0 | gmx_d make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 448s gmx_d mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 448s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 448s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 448s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 448s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 448s Testing flooding1 . . . 448s gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 448s gmx_d mdrun -ei /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 448s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 448s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 448s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 448s Comparing column #3 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 448s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 448s Comparing column #5 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 448s Comparing column #6 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 448s Comparing column #7 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 448s Testing flooding2 . . . 448s gmx_d grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 449s gmx_d mdrun -ei /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 450s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 450s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 450s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 450s Comparing column #3 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 450s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 450s Comparing column #5 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 450s Comparing column #6 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 450s Comparing column #7 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 450s All 7 essential dynamics tests PASSED 450s ============================================================= 450s Starting regression tests: MPI build, single precision (only) 450s ============================================================= 450s Will test on 4 MPI ranks (if possible) 450s Testing acetonitrilRF . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/topol -maxwarn 10 >grompp.out 2>grompp.err 450s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 450s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 451s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 451s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/acetonitrilRF/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 451s PASSED but check mdp file differences 451s Testing aminoacids . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/topol -maxwarn 10 >grompp.out 2>grompp.err 451s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 451s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids gmx_mpi mdrun -notunepme >mdrun.out 2>&1 452s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 452s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/aminoacids/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 452s PASSED but check mdp file differences 452s Testing argon . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/topol -maxwarn 10 >grompp.out 2>grompp.err 452s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 452s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 452s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 452s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/argon/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 452s PASSED but check mdp file differences 452s Testing awh_multibias . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/index >grompp.out 2>grompp.err 452s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 452s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/continue -noappend >mdrun.out 2>&1 453s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 453s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multibias/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 453s PASSED but check mdp file differences 453s Testing awh_multidim . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/index >grompp.out 2>grompp.err 453s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 453s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim gmx_mpi mdrun -notunepme >mdrun.out 2>&1 453s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 453s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/awh_multidim/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 453s PASSED but check mdp file differences 453s Testing butane . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/topol -maxwarn 10 >grompp.out 2>grompp.err 453s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 453s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane gmx_mpi mdrun -notunepme >mdrun.out 2>&1 453s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 453s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/butane/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 453s PASSED but check mdp file differences 453s Testing cbt . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/topol -maxwarn 10 >grompp.out 2>grompp.err 453s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 453s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 453s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 453s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/cbt/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 453s PASSED but check mdp file differences 453s Testing dd121 . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/topol -maxwarn 10 >grompp.out 2>grompp.err 453s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 453s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 454s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 454s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dd121/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 454s PASSED but check mdp file differences 454s Testing dec+water . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/topol -maxwarn 10 >grompp.out 2>grompp.err 454s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 454s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 454s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 454s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/dec+water/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 454s PASSED but check mdp file differences 454s Testing distance_restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 454s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 454s mpirun -np 1 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 455s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 455s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/distance_restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 455s PASSED but check mdp file differences 455s Testing ethyleenglycol . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/topol -maxwarn 10 >grompp.out 2>grompp.err 455s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 455s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol gmx_mpi mdrun -notunepme >mdrun.out 2>&1 455s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 455s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/ethyleenglycol/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 455s PASSED but check mdp file differences 455s Testing field . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/topol -maxwarn 10 >grompp.out 2>grompp.err 455s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 455s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field gmx_mpi mdrun -notunepme >mdrun.out 2>&1 455s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 455s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/field/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 455s PASSED but check mdp file differences 455s Testing nacl . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/topol -maxwarn 10 >grompp.out 2>grompp.err 456s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 456s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl gmx_mpi mdrun -notunepme >mdrun.out 2>&1 456s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 456s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nacl/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 456s PASSED but check mdp file differences 456s Testing nbnxn-energy-groups . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/topol -maxwarn 10 >grompp.out 2>grompp.err 456s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 456s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 457s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 457s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-energy-groups/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 457s PASSED but check mdp file differences 457s Testing nbnxn-free-energy . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/topol -maxwarn 10 >grompp.out 2>grompp.err 457s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 457s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy gmx_mpi mdrun -notunepme >mdrun.out 2>&1 457s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 457s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 457s PASSED but check mdp file differences 457s Testing nbnxn-free-energy-vv . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/topol -maxwarn 10 >grompp.out 2>grompp.err 457s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 457s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv gmx_mpi mdrun -notunepme >mdrun.out 2>&1 458s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 458s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-free-energy-vv/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 458s PASSED but check mdp file differences 458s Testing nbnxn-ljpme-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 458s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 458s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 458s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 458s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 458s PASSED but check mdp file differences 458s Testing nbnxn-ljpme-LB . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/topol -maxwarn 10 >grompp.out 2>grompp.err 458s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 458s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB gmx_mpi mdrun -notunepme >mdrun.out 2>&1 459s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 459s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 459s PASSED but check mdp file differences 459s Testing nbnxn-ljpme-LB-geometric . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/topol -maxwarn 10 >grompp.out 2>grompp.err 459s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 459s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric gmx_mpi mdrun -notunepme >mdrun.out 2>&1 460s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 460s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-ljpme-LB-geometric/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 460s PASSED but check mdp file differences 460s Testing nbnxn-vdw-force-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 460s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 460s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 461s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 461s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-force-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 461s PASSED but check mdp file differences 461s Testing nbnxn-vdw-potential-switch . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/topol -maxwarn 10 >grompp.out 2>grompp.err 461s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 461s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 461s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 461s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 461s PASSED but check mdp file differences 461s Testing nbnxn-vdw-potential-switch-argon . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon/topol -maxwarn 10 >grompp.out 2>grompp.err 461s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/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 461s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn-vdw-potential-switch-argon gmx_mpi mdrun -notunepme >mdrun.out 2>&1 462s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 462s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/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 462s PASSED but check mdp file differences 462s Testing nbnxn_pme . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/topol -maxwarn 10 >grompp.out 2>grompp.err 462s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 462s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme gmx_mpi mdrun -notunepme >mdrun.out 2>&1 462s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 462s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 462s PASSED but check mdp file differences 462s Testing nbnxn_pme_order5 . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/topol -maxwarn 10 >grompp.out 2>grompp.err 462s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 462s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 463s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 463s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order5/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 463s PASSED but check mdp file differences 463s Testing nbnxn_pme_order6 . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/topol -maxwarn 10 >grompp.out 2>grompp.err 463s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 463s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6 gmx_mpi mdrun -notunepme >mdrun.out 2>&1 463s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 463s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_pme_order6/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 463s PASSED but check mdp file differences 463s Testing nbnxn_rf . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/topol -maxwarn 10 >grompp.out 2>grompp.err 463s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 464s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf gmx_mpi mdrun -notunepme >mdrun.out 2>&1 464s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 464s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rf/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 464s PASSED but check mdp file differences 464s Testing nbnxn_rzero . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/topol -maxwarn 10 >grompp.out 2>grompp.err 464s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 464s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero gmx_mpi mdrun -notunepme >mdrun.out 2>&1 464s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 464s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_rzero/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 464s PASSED but check mdp file differences 464s Testing nbnxn_vsite . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/topol -maxwarn 10 >grompp.out 2>grompp.err 464s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 464s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite gmx_mpi mdrun -notunepme >mdrun.out 2>&1 465s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 465s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nbnxn_vsite/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 465s PASSED but check mdp file differences 465s Testing nst_mismatch . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/topol -maxwarn 10 >grompp.out 2>grompp.err 465s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 465s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch gmx_mpi mdrun -notunepme >mdrun.out 2>&1 465s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 465s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/nst_mismatch/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 465s PASSED but check mdp file differences 465s Testing octahedron . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/topol -maxwarn 10 >grompp.out 2>grompp.err 465s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 465s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron gmx_mpi mdrun -notunepme >mdrun.out 2>&1 466s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 466s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/octahedron/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 466s PASSED but check mdp file differences 466s Testing orientation-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 467s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 467s mpirun -np 1 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 473s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 473s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/orientation-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 473s PASSED but check mdp file differences 473s Testing position-restraints . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/topol -maxwarn 10 >grompp.out 2>grompp.err 473s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 473s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints gmx_mpi mdrun -notunepme >mdrun.out 2>&1 473s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 473s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/position-restraints/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 473s PASSED but check mdp file differences 473s Testing pr-vrescale . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/topol -maxwarn 10 >grompp.out 2>grompp.err 473s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 473s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale gmx_mpi mdrun -notunepme >mdrun.out 2>&1 474s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 474s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pr-vrescale/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 474s PASSED but check mdp file differences 474s Testing pull_constraint . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/index >grompp.out 2>grompp.err 474s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 474s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint gmx_mpi mdrun -notunepme >mdrun.out 2>&1 474s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 474s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_constraint/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 474s PASSED but check mdp file differences 474s Testing pull_cylinder . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/index >grompp.out 2>grompp.err 474s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 474s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder gmx_mpi mdrun -notunepme >mdrun.out 2>&1 475s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 475s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_cylinder/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 475s PASSED but check mdp file differences 475s Testing pull_geometry_angle . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/index >grompp.out 2>grompp.err 475s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 475s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle gmx_mpi mdrun -notunepme >mdrun.out 2>&1 475s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 475s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 475s PASSED but check mdp file differences 475s Testing pull_geometry_angle-axis . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/index >grompp.out 2>grompp.err 475s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 475s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis gmx_mpi mdrun -notunepme >mdrun.out 2>&1 476s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 476s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_angle-axis/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 476s PASSED but check mdp file differences 476s Testing pull_geometry_dihedral . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/index >grompp.out 2>grompp.err 476s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 476s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral gmx_mpi mdrun -notunepme >mdrun.out 2>&1 476s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 476s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/pull_geometry_dihedral/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 476s PASSED but check mdp file differences 476s Testing reb . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/topol -maxwarn 10 >grompp.out 2>grompp.err 476s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 476s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb gmx_mpi mdrun -nb cpu -notunepme >mdrun.out 2>&1 476s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 476s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/reb/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 476s PASSED but check mdp file differences 476s Testing sw . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/topol -maxwarn 10 >grompp.out 2>grompp.err 476s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 476s mpirun -np 1 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw gmx_mpi mdrun -notunepme >mdrun.out 2>&1 477s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 477s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/sw/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 478s PASSED but check mdp file differences 478s Testing swap_x . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/index >grompp.out 2>grompp.err 478s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 478s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x gmx_mpi mdrun -notunepme >mdrun.out 2>&1 479s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 479s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_x/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 479s PASSED but check mdp file differences 479s Testing swap_y . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/index >grompp.out 2>grompp.err 479s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 479s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y gmx_mpi mdrun -notunepme >mdrun.out 2>&1 480s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 480s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_y/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 480s PASSED but check mdp file differences 480s Testing swap_z . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/topol -maxwarn 10 -n /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/index >grompp.out 2>grompp.err 480s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 480s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z gmx_mpi mdrun -notunepme >mdrun.out 2>&1 481s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 481s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/swap_z/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 481s PASSED but check mdp file differences 481s Testing tip4p . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/topol -maxwarn 10 >grompp.out 2>grompp.err 481s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 481s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p gmx_mpi mdrun -notunepme >mdrun.out 2>&1 481s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 481s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 481s PASSED but check mdp file differences 481s Testing tip4p_continue . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/topol -maxwarn 10 >grompp.out 2>grompp.err 482s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 482s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue gmx_mpi mdrun -notunepme -cpi /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/continue -noappend >mdrun.out 2>&1 482s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/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 482s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4p_continue/reference_s.trr -f2 traj.part0002.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 482s PASSED but check mdp file differences 482s Testing tip4pflex . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/topol -maxwarn 10 >grompp.out 2>grompp.err 482s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 482s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex gmx_mpi mdrun -notunepme >mdrun.out 2>&1 483s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 483s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/tip4pflex/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 483s PASSED but check mdp file differences 483s Testing urea . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/topol -maxwarn 10 >grompp.out 2>grompp.err 483s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 483s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea gmx_mpi mdrun -notunepme >mdrun.out 2>&1 483s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 483s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/urea/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 483s PASSED but check mdp file differences 483s Testing walls . . . gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/topol -maxwarn 10 >grompp.out 2>grompp.err 483s gmx_mpi check -s1 /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_s.tpr -s2 topol.tpr -tol 0.0001 -abstol 0.001 >checktpr.out 2>checktpr.err 483s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls gmx_mpi mdrun -notunepme >mdrun.out 2>&1 484s gmx_mpi check -e /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_s.edr -e2 ener.edr -tol 0.001 -abstol 0.05 -lastener Potential >checkpot.out 2>checkpot.err 484s gmx_mpi check -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/complex/walls/reference_s.trr -f2 traj.trr -tol 0.001 -abstol 0.05 >checkforce.out 2>checkforce.err 484s PASSED but check mdp file differences 484s All 48 complex tests PASSED 484s All 0 extra tests PASSED 484s Testing linfix . . . 484s gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/topol -maxwarn 2 >grompp.out 2>grompp.err 484s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err 484s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix gmx_mpi mdrun -ei sam.edi -eo linfix.xvg >mdrun.out 2>&1 484s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0 484s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 0.05 484s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linfix/edsam_reference.xvg and linfix.xvg ... all within tolerance of 1e-06 484s Testing linacc . . . 484s gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/topol -maxwarn 2 >grompp.out 2>grompp.err 484s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/eigenvec.trr -outfrq 2 -linacc 1 -accdir +1 -o sam.edi 1>make_edi.out 2>make_edi.err 484s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc gmx_mpi mdrun -ei sam.edi -eo linacc.xvg >mdrun.out 2>&1 484s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0 484s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.005 484s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/linacc/edsam_reference.xvg and linacc.xvg ... all within tolerance of 0.001 484s Checking monotonicity for column 2 of file linacc.xvg ... values of column 2 are increasing monotonically. 484s Testing radfix . . . 484s gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/topol -maxwarn 2 >grompp.out 2>grompp.err 484s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/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 484s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix gmx_mpi mdrun -ei sam.edi -eo radfix.xvg >mdrun.out 2>&1 484s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 484s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0.05 484s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radfix/edsam_reference.xvg and radfix.xvg ... all within tolerance of 0 484s Checking radius for file radfix.xvg ... all values within tolerance of 1e-05 484s Testing radacc . . . 484s gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/topol -maxwarn 2 >grompp.out 2>grompp.err 484s echo 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/eigenvec.trr -outfrq 3 -radacc 1-2 -o sam.edi 1>make_edi.out 2>make_edi.err 484s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc gmx_mpi mdrun -ei sam.edi -eo radacc.xvg >mdrun.out 2>&1 484s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0 484s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radacc/edsam_reference.xvg and radacc.xvg ... all within tolerance of 0.05 484s Checking radius for file radacc.xvg ... all values within tolerance of 1e-05 484s Checking monotonicity for column 4 of file radacc.xvg ... values of column 4 are increasing monotonically. 484s Testing radcon . . . 484s gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/topol -maxwarn 2 >grompp.out 2>grompp.err 484s echo 0 0 | gmx_mpi make_edi -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/eigenvec.trr -outfrq 1 -radcon 1-2 -tar /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/target.pdb -o sam.edi 1>make_edi.out 2>make_edi.err 484s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon gmx_mpi mdrun -ei sam.edi -eo radcon.xvg >mdrun.out 2>&1 484s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0 484s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/radcon/edsam_reference.xvg and radcon.xvg ... all within tolerance of 0.05 484s Checking radius for file radcon.xvg ... all values within tolerance of 1e-05 484s Checking monotonicity for column 4 of file radcon.xvg ... values of column 4 are decreasing monotonically. 484s Testing flooding1 . . . 484s gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/topol -maxwarn 2 >grompp.out 2>grompp.err 485s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1 gmx_mpi mdrun -ei /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/sam.edi -eo flooding1.xvg >mdrun.out 2>&1 485s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 0 485s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 485s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 485s Comparing column #3 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 485s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 485s Comparing column #5 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1e-05 485s Comparing column #6 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 485s Comparing column #7 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding1/edsam_reference.xvg and flooding1.xvg ... all within tolerance of 1 485s Testing flooding2 . . . 485s gmx_mpi grompp -f /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/grompp.mdp -c /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/conf -r /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/conf -p /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/topol -maxwarn 2 >grompp.out 2>grompp.err 485s mpirun -np 4 -wdir /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2 gmx_mpi mdrun -ei /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/sam.edi -eo flooding2.xvg >mdrun.out 2>&1 488s Comparing column #0 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0 488s Comparing column #1 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.05 488s Comparing column #2 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 488s Comparing column #3 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 488s Comparing column #4 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 488s Comparing column #5 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 0.025 488s Comparing column #6 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 250 488s Comparing column #7 of .xvg files /tmp/autopkgtest.hUVDfF/build.j9O/src/regressiontests/essentialdynamics/flooding2/edsam_reference.xvg and flooding2.xvg ... all within tolerance of 1000 488s All 7 essential dynamics tests PASSED 488s Cleaning acetonitrilRF 488s Cleaning aminoacids 488s Cleaning argon 488s Cleaning awh_multibias 488s Cleaning awh_multidim 488s Cleaning butane 488s Cleaning cbt 488s Cleaning dd121 488s Cleaning dec+water 488s Cleaning distance_restraints 488s Cleaning ethyleenglycol 488s Cleaning field 488s Cleaning nacl 488s Cleaning nbnxn-energy-groups 488s Cleaning nbnxn-free-energy 488s Cleaning nbnxn-free-energy-vv 488s Cleaning nbnxn-ljpme-geometric 488s Cleaning nbnxn-ljpme-LB 488s Cleaning nbnxn-ljpme-LB-geometric 488s Cleaning nbnxn-vdw-force-switch 488s Cleaning nbnxn-vdw-potential-switch 488s Cleaning nbnxn-vdw-potential-switch-argon 488s Cleaning nbnxn_pme 488s Cleaning nbnxn_pme_order5 488s Cleaning nbnxn_pme_order6 488s Cleaning nbnxn_rf 488s Cleaning nbnxn_rzero 488s Cleaning nbnxn_vsite 488s Cleaning nst_mismatch 488s Cleaning octahedron 488s Cleaning orientation-restraints 488s Cleaning position-restraints 488s Cleaning pr-vrescale 488s Cleaning pull_constraint 488s Cleaning pull_cylinder 488s Cleaning pull_geometry_angle 488s Cleaning pull_geometry_angle-axis 488s Cleaning pull_geometry_dihedral 488s Cleaning reb 488s Cleaning sw 488s Cleaning swap_x 488s Cleaning swap_y 488s Cleaning swap_z 488s Cleaning tip4p 488s Cleaning tip4p_continue 488s Cleaning tip4pflex 488s Cleaning urea 488s Cleaning walls 488s Cleaning flooding1 488s Cleaning flooding2 488s Cleaning linacc 488s Cleaning linfix 488s Cleaning radacc 488s Cleaning radcon 488s Cleaning radfix 488s autopkgtest [22:42:08]: test gromacs-regressiontests: -----------------------] 489s autopkgtest [22:42:09]: test gromacs-regressiontests: - - - - - - - - - - results - - - - - - - - - - 489s gromacs-regressiontests PASS 489s autopkgtest [22:42:09]: @@@@@@@@@@@@@@@@@@@@ summary 489s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture s390x isn't listed. 489s gromacs-regressiontests-flaky SKIP Test lists explicitly supported architectures, but the current architecture s390x isn't listed. 489s gromacs-regressiontests PASS 507s nova [W] Using flock in prodstack6-s390x 507s Creating nova instance adt-questing-s390x-gromacs-20250501-223400-juju-7f2275-prod-proposed-migration-environment-15-d540a8ca-b950-4ef1-b5ea-539eac6564d6 from image adt/ubuntu-questing-s390x-server-20250501.img (UUID 06a11845-48a4-4c28-9288-51dd7b757c52)... 507s nova [W] Timed out waiting for 76917e15-6094-46d1-8bd4-610747257965 to get deleted.