MPI testing jobs for gmxapi
Follow-up from "Introduce some gmxapi integration testing"
The following discussion from !26 (merged) should be addressed:
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@eirrgang started a discussion: (+2 comments) I don't know the correct way to launch MPI tests. The naive attempt (currently commented out) seems to work, but runs very very slowly, indicating that the container resources and mpi runner aren't set up right. Does anyone have suggestions?
Also, the tests currently run as the root user, which may not be desirable. The user is in a Docker container, so there aren't substantial security concerns, but it is not representative of a user environment for mpiexec
or the Python environment.
Fixes #2756 (closed)