[gmx-users] Strange MPI problems. . .

[Marc Charendoff]

Hello,


       I am trying to perform a position restrained MD run on our school cluster on a system I have successfully run on before. The only difference is that this new run uses the 43a1 force field (the original used gmx). All my preprocessing has gone well, but when I submit to the cluster, my log file shows the following:

[node126:13068] Error in mx_open_endpoint (error Failure querying MX driver(wrong driver?))
[node126:13068] mca_btl_mx_init: mx_open_endpoint() failed with status=1
warning:regcache incompatible with malloc
NNODES=2, MYRANK=0, HOSTNAME=node126
NNODES=2, MYRANK=1, HOSTNAME=node056
NODEID=0 argc=12
NODEID=1 argc=12
[node126][0,1,0][btl_tcp_endpoint.c:572:mca_btl_tcp_endpoint_complete_connect] connect() failed with errno=113

I immediately reran the old calculation (gmx) which worked just fine. I should also note the my energy minimization run (43a1) on a single processor ran ok. Any guidance anyone could provide would be appreciated. 

Much Thanks, 

Marc
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