Test mult-rank simulator. #54

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eirrgang wants to merge 2 commits into main from brer-md-5-mpi-testing

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eirrgang commented Apr 25, 2023

Build MPI-gromacs for testing.
Test multi-rank simulation. Invoke with mpiexec
Test MPI ensemble execution.

Ref #5

eirrgang added 2 commits

April 24, 2023 20:07


          Let CMake detect compilers in GitHub Actions.

61ac2ef


          Test against gmxapi 0.4.0.

e97d9d4

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