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HSU-HPC / MaMiCo

The macro-micro-coupling tool for coupled molecular-continuum flow simulation
BSD 3-Clause "New" or "Revised" License
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MultiMDServiceTest::testAvgNumberOfMDSimulations does not run sequentially #25

Open Thinkpiet opened 11 months ago

Thinkpiet commented 11 months ago

It assumes 4 MPI ranks. OK, but for size!=4 it should exit gracefully. Currently it crashes with an error instead

LouieVoit commented 11 months ago

Do you mean it assumes 4 MD simulations ? It does not crash for me. Can you detail a bit more ?

Thinkpiet commented 11 months ago

I am on master (e7f389130dd0b5347e6). I compile with BUILD_WITH_MPI=ON, BUILD_TESTING=ON, CMAKE_BUILD_TYPE=Debug, I use GCC 13.2.1.

If I execute ./testmamico MultiMDServiceTest::testAvgNumberOfMDSimulations or mpirun -n 2 testmamico MultiMDServiceTest::testAvgNumberOfMDSimulations then I get

ERROR MultiMDService::MultiMDService(): _globalSize mod _localSize!=0 ! The number of globally available MPI processes must be filled completely with local MD simulation processes!

Expected result: Test should pass.