Hi
Have you tried to compile and run the simple examples
that come with OpenMPI?
Often times they tell you right away if there are problems with your
PATH, or with your LD_LIBRARY_PATH, or if all OpenMPI software can
be reached by your nodes (and not only by your head node), etc.
The little tim
Given all the back-n-forth here, you should probably try to get some simple
Open MPI applications running, and then try to get Gromacs running.
Try running the simple "hello world" and "ring" applications in the examples/
directory in the source tree of Open MPI (just type "make" in there and it
