[gmx-developers] Difference between GMX_MPI and GMX_LIB_MPI

Mark Abraham mark.j.abraham at gmail.com
Wed Oct 7 20:55:16 CEST 2015


In the source code, GMX_MPI refers to any kind of MPI (see
src/config.h.cmakein). Unfortunately the CMake option of the same name
refers only to MPI provided by some external library (ie. not the GROMACS
thread-MPI). Nobody had any ideas good enough to fix it in
http://redmine.gromacs.org/issues/1320 so probably it will stay (until we
kill thread MPI! :-))


On Wed, Oct 7, 2015 at 8:29 PM Xingcheng Lin <linxingcheng50311 at gmail.com>

> Hi,
> I have some difficulty differentiate the difference between GMX_MPI and
> GMX_LIB_MPI. Both of them are used some where in Gromacs code. They seem to
> be the same. But for thread-mpi it disables GMX_LIB_MPI without disabling
> GMX_MPI. Can anyone tell me the difference between these two?
> Thank you,
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