Fixed mdrun_mpi detection for Gromacs 5.0 #19
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This seems a bit kludgy, but it's only weird in one case (gmx_mpi exists and mdrun_mpi exists). I've now found at least two major HPC systems (stampede, archer) where gmx exists and is thread_mpi, mdrun_mpi exists and is real MPI, and mdrun exists and is thread_mpi. This patch fixes the "no mpi executables" error in that case.