RE: [gmx-users] problem with energy minimization

[Emanuel Birru]

Yeah, Tsjerk is is right, it seems you are using 4 cpu and your system is too 
small to run in on more than one node (CPU).
________________________________
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf 
of Tsjerk Wassenaar [tsje...@gmail.com]
Sent: Tuesday, January 31, 2012 5:58 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] problem with energy minimization


Hi Anushree,

You're not using a single cpu, although you probably think you do. Is this em 
in vacuum or just a small system? Either way, you can enforce running on a 
single cpu by adding '-nt 1' to the mdrun options.

Cheers,

Tsjerk

On Jan 31, 2012 7:53 AM, "Anushree Tripathi" 
<anushritripa...@gmail.com<mailto:anushritripa...@gmail.com>> wrote:

I am using single CPU for this simulation.


On Tue, Jan 31, 2012 at 11:09 AM, Emanuel Birru 
<emanuel.bi...@monash.edu<mailto:emanuel.bi...@monash.edu>> wrote:

> >   > > From: 
> > gmx-users-boun...@gromacs.org<mailto:gmx-users-boun...@gromacs.org> 
> > [mailto:gmx-users-boun...@gromacs.org<mailto:gmx-users-boun...@gromacs.org>]
> >  On Behalf Of An...

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