[gmx-users] parallel run problem for nwall
t218gy at gmail.com
Fri Sep 10 04:42:08 CEST 2010
Gromacs is running well on multi-nodes without nwall. But with nwall, it
On Thu, Sep 9, 2010 at 9:28 PM, Mark Abraham <mark.abraham at anu.edu.au>wrote:
> ----- 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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