<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:'times new roman', 'new york', times, serif;font-size:12pt"><div>Hello,</div><div><br></div><div><br></div><div> 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:</div><div><br></div><div><div>[node126:13068] Error in mx_open_endpoint (error Failure querying MX driver(wrong driver?))</div><div>[node126:13068] mca_btl_mx_init: mx_open_endpoint() failed with status=1</div><div>warning:regcache incompatible with malloc</div><div>NNODES=2, MYRANK=0, HOSTNAME=node126</div><div>NNODES=2, MYRANK=1, HOSTNAME=node056</div><div>NODEID=0 argc=12</div><div>NODEID=1
argc=12</div><div>[node126][0,1,0][btl_tcp_endpoint.c:572:mca_btl_tcp_endpoint_complete_connect] connect() failed with errno=113</div><div><br></div><div>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. </div><div><br></div><div>Much Thanks, </div><div><br></div><div>Marc</div></div><div style="position:fixed"></div></div></body></html>