[gmx-users] problem of paralleled running

Dallas Warren Dallas.Warren at monash.edu
Thu Oct 28 04:17:18 CEST 2010

Can't help you directly, other than suggestion you provide a lot more
information than you have. Direct copy/paste of the command lines used,
error messages and log files generated, how GROMACS was installed etc.


Catch ya,

Dr. Dallas Warren

Medicinal Chemistry and Drug Action

Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu

+61 3 9903 9304
When the only tool you own is a hammer, every problem begins to resemble
a nail. 


From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of fancy2012
Sent: Thursday, 28 October 2010 1:05 PM
To: gmx-users
Subject: [gmx-users] problem of paralleled running


Dear GMX users,


I have a problem when I run gromacs-4.5.1 on a cluster, I can only do
paralleled running using 1 node, which is 8-cpu, but when I use more
nodes, it will abort abnormally. Could someone help me figure it out?
Thanks very much!


All the best,



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