[gmx-users] parallel run problem for nwall

Mark Abraham mark.abraham at anu.edu.au
Fri Sep 10 04:28:10 CEST 2010

----- Original Message -----
From: Yi Gao <t218gy at gmail.com>
Date: Friday, September 10, 2010 12:23
Subject: [gmx-users] parallel run problem for nwall
To: gmx-users at gromacs.org

> Dear Sir, >   > I am using nwall to run my system. My version is Gromacs 4.0.7. Interestingly, I could parallel run my system on 1 node with 4 or 8 cpus, but when I run it on multi-node PC-cluster, it always fails and gives no message at all. I wonder if you could help me to resolve this problem? Thanks a lot!

First, find out if your MPI is configured to use the multiple nodes, e.g. with a hostfile.


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