MultiMDServiceTest::testAvgNumberOfMDSimulations does not run sequentially

[Thinkpiet]

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

[LouieVoit]

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

[Thinkpiet]

I am on master (e7f3891). 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.