g_pme_error does not work with threads
When building the latest version of the manual and calling executables produced with the most recent version in release-4-5-patches, I noticed "Abort trap" when running mkman. It came from g_pme_error, which, when executed by itself, gave:
tMPI error: Invalid tMPI_Comm
Re-configuring without threads fixed the problem.
#2 Updated by Mark Abraham over 9 years ago
g_pme_error wasn't contributed by a regular GROMACS developer, so probably doesn't follow all the development guidelines. It certainly uses MPI, and its development probably predates the existence of threading in GROMACS.
I'm also aware of at least one array-indexing bug in it, which I'll deal with at some point.