# Gromacs 2022.1 installation, Mdrun Mpi Coordination Constraints test failed for make check **URL:** \ **Category:** User discussions\ **Tags:** installation-error\ **Created:** [June 16, 2022, 4:20pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-1-installation-mdrun-mpi-coordination-constraints-test-failed-for-make-check/4311 "2022-06-16T16:20:54Z")\ **Posts on this page:** 4\ **Page:** 1
**Author:** ![fearthebun](https://avatars.discourse-cdn.com/v4/letter/f/d78d45/32.png) [@fearthebun](https://gromacs.bioexcel.eu/u/fearthebun)\ **Post date:** [June 16, 2022, 4:20pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-1-installation-mdrun-mpi-coordination-constraints-test-failed-for-make-check/4311/1 "2022-06-16T16:20:54Z")
I’m trying to download GROMACS 2022.1 on my Windows machine using Windows Subsystem for Linux. I’m wondering if the test I’m failing is because my machine isn’t powerful enough. I fail two tests when running make check. My system specs are an AMD Ryzen 5 5600H CPU with 6 cores, 16GB RAM, and an RTX3060 GPU. My cmake flags are `cmake .. -DGMX_BUILD_OWN_FFTW=OFF -DREGRESSIONTEST_DOWNLOAD=ON` These are the failed tests: [FAILED] 2 tests, listed below: [FAILED] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9, where GetParam() = ({ (“comm-mode”, “linear”), (“integrator”, “md-vv”), (“maxGromppWarningsTolerated”, “0”), (“nstcomm”, “5”), (“nstpcouple”, “3”), (“nsttcouple”, “2”), (“pcoupl”, “no”), (“simulationName”, “tip3p5”), (“tcoupl”, “no”) }, 0x560ce6437890) [FAILED] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10, where GetParam() = ({ (“comm-mode”, “linear”), (“integrator”, “md-vv”), (“maxGromppWarningsTolerated”, “0”), (“nstcomm”, “5”), (“nstpcouple”, “3”), (“nsttcouple”, “2”), (“pcoupl”, “C-rescale”), (“simulationName”, “tip3p5”), (“tcoupl”, “no”) }, 0x560ce6437890) 2 FAILED TESTS ``` Start 81: MdrunFEPTests ``` 81/84 Test #81: MdrunFEPTests … Passed 1.06 sec Start 82: MdrunPullTests 82/84 Test #82: MdrunPullTests … Passed 1.13 sec Start 83: MdrunSimulatorComparison 83/84 Test #83: MdrunSimulatorComparison … Passed 0.04 sec Start 84: MdrunVirtualSiteTests 84/84 Test #84: MdrunVirtualSiteTests … Passed 0.70 sec 99% tests passed, 1 tests failed out of 84 Label Time Summary: GTest = 79.14 sec_proc (81 tests) IntegrationTest = 24.38 sec_proc (25 tests) MpiTest = 48.46 sec_proc (19 tests) SlowTest = 51.53 sec_proc (13 tests) UnitTest = 3.23 sec\*proc (43 tests) Total Test time (real) = 79.41 sec The following tests FAILED: 80 - MdrunMpiCoordinationConstraintsTestsTwoRanks (Failed) Errors while running CTest make[3]: \*\*\* [CMakeFiles/run-ctest-nophys.dir/build.make:58: CMakeFiles/run-ctest-nophys] Error 8 make[2]: \*\*\* [CMakeFiles/Makefile2:2804: CMakeFiles/run-ctest-nophys.dir/all] Error 2 make[1]: \*\*\* [CMakeFiles/Makefile2:2784: CMakeFiles/check.dir/rule] Error 2 make: \*\*\* [Makefile:249: check] Error 2 Anyone know what might be causing this? Thanks! ---
**Author:** ![al42and](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/al42and/32/1393_2.png) [@al42and](https://gromacs.bioexcel.eu/u/al42and)\ **Post date:** [June 17, 2022, 2:14pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-1-installation-mdrun-mpi-coordination-constraints-test-failed-for-make-check/4311/2 "2022-06-17T14:14:22Z")
Hello! We have several similar reports of such issues with GCC and AMD Zen 2 CPUs which we are still investigating. Are you using GCC compiler? You can try using Clang or setting `-DGMX_SIMD=SSE4.1`. The latter will impair CPU performance somewhat. ---
**Author:** ![fearthebun](https://avatars.discourse-cdn.com/v4/letter/f/d78d45/32.png) [@fearthebun](https://gromacs.bioexcel.eu/u/fearthebun)\ **Post date:** [July 5, 2022, 5:40pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-1-installation-mdrun-mpi-coordination-constraints-test-failed-for-make-check/4311/3 "2022-07-05T17:40:44Z")
This worked, thank you! ---
**Author:** ![bc118](https://avatars.discourse-cdn.com/v4/letter/b/e36b37/32.png) [@bc118](https://gromacs.bioexcel.eu/u/bc118)\ **Post date:** [December 12, 2022, 7:40pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-1-installation-mdrun-mpi-coordination-constraints-test-failed-for-make-check/4311/4 "2022-12-12T19:40:09Z")
I had the same or similar issue, and this is what worked for me. My hardware was: Vendor: Intel Brand: Intel(R) Xeon(R) CPU E5-2630 v4 @ 2.20GHz Family: 6 Model: 79 Stepping: 1 Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma hle htt intel lahf mmx msr nonstop\_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp rtm sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic Hardware topology: Basic Packages, cores, and logical processors: [indices refer to OS logical processors] Package 0: [0 20] [1 21] [2 22] [3 23] [4 24] [5 25] [6 26] [7 27] [8 28] [9 29] Package 1: [10 30] [11 31] [12 32] [13 33] [14 34] [15 35] [16 36] [17 37] [18 38] [19 39] CPU limit set by OS: -1 Recommended max number of threads: 40 GPU info: Number of GPUs detected: 1 #0: NVIDIA NVIDIA GeForce RTX 3080, compute cap.: 8.6, ECC: no, stat: compatible The issue appears to be in the cmake section and what flags you will use. For me, this did not work using the standard suggested build command, but did with an added flag (shown below): **full standard and suggested build:** tar xfz gromacs-2022.4.tar.gz cd gromacs-2022.4 mkdir build cd build cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_GPU=CUDA make make check sudo make install **2 or more test failed when using the standard build (Some test failing):** cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_GPU=CUDA **Worked like this (All test passing tests):** cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_GPU=CUDA -DCMAKE\_CXX\_COMPILER=/usr/bin/g++