[gmx-users] Gromacs-4.6.6 + openmpi 1.6: no output running in 2 nodes

Elton Carvalho eltonfc at gmail.com
Fri Aug 15 23:22:45 CEST 2014

Good evening, fellow users!

I'm trying to build gromacs 4.6.6 at an university cluster, which has
openmpi 1.6 and intel Coposer XE 2013.

When I run it on one node, with 8 cpus, mdrun behaves as expected.
When I trun it in more than one node, 8 mdrun processes are spawned in
each node using 100% CPU, but no output files are written. I get no
output from gromacs at all.

Any ideas on how to diagnose it? For completeness, the CMake
Cache file is here: http://pastebin.com/p5QaKpef
I wonder if I missed something on the mpi libraries.

I tried building mdrun with openMP off, relying only in MPI and the
behavior is the same.

Thanks in advance!

Elton Carvalho

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