GROMACS version:
GROMACS modification: Yes/No
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My system specs
i5-12400F
16Gb ram
Iam facing an error while performing the make check during mpi compilation of gromacs 2024.3 version
88% tests passed, 11 tests failed out of 91
Label Time Summary:
GTest = 331.64 secproc (87 tests)
IntegrationTest = 123.97 secproc (30 tests)
MpiTest = 250.64 secproc (23 tests)
QuickGpuTest = 48.26 secproc (20 tests)
SlowGpuTest = 1307.14 secproc (16 tests)
SlowTest = 199.49 secproc (13 tests)
UnitTest = 8.18 sec*proc (44 tests)
Total Test time (real) = 1280.02 sec
The following tests FAILED:
2 - GmxapiMpiTests (Failed)
67 - MdrunTestsTwoRanks (Failed)
70 - Minimize2RankTests (Failed)
73 - MdrunMpiTests (Failed)
78 - MdrunMpi2RankPmeTests (Failed)
80 - MdrunCoordinationBasicTests2Ranks (Failed)
82 - MdrunCoordinationCouplingTests2Ranks (Failed)
84 - MdrunCoordinationConstraintsTests2Ranks (Failed)
89 - MdrunVirtualSiteTests (Failed)
90 - regressiontests/complex (Failed)
91 - regressiontests/essentialdynamics (Failed)
Errors while running CTest
make[3]: *** [CMakeFiles/run-ctest-nophys.dir/build.make:71: CMakeFiles/run-ctest-nophys] Error 8
make[2]: *** [CMakeFiles/Makefile2:3274: CMakeFiles/run-ctest-nophys.dir/all] Error 2
make[1]: *** [CMakeFiles/Makefile2:3307: CMakeFiles/check.dir/rule] Error 2
make: *** [Makefile:628: check] Error 2
I had installed mpich and had installed g++ on my Linux system .
Can anyone please help me in this regard