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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">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).<br>
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<div id="divRpF737569" style="direction: ltr; "><font face="Tahoma" size="2" color="#000000"><b>From:</b> gmx-users-bounces@gromacs.org [gmx-users-bounces@gromacs.org] on behalf of Tsjerk Wassenaar [tsjerkw@gmail.com]<br>
<b>Sent:</b> Tuesday, January 31, 2012 5:58 PM<br>
<b>To:</b> Discussion list for GROMACS users<br>
<b>Subject:</b> Re: [gmx-users] problem with energy minimization<br>
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<p>Hi Anushree,</p>
<p>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.</p>
<p>Cheers,</p>
<p>Tsjerk</p>
<p></p>
<blockquote type="cite">On Jan 31, 2012 7:53 AM, "Anushree Tripathi" <<a href="mailto:anushritripathi@gmail.com" target="_blank">anushritripathi@gmail.com</a>> wrote:<br>
<br>
I am using single CPU for this simulation.<br>
<br>
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<p><font color="#500050">On Tue, Jan 31, 2012 at 11:09 AM, Emanuel Birru <<a href="mailto:Emanuel.Birru@monash.edu" target="_blank">Emanuel.Birru@monash.edu</a>> wrote:
</font></p>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex; border-left:1px #ccc solid; padding-left:1ex">
<p><font color="#500050">> > > > From: <a href="mailto:gmx-users-bounces@gromacs.org" target="_blank">
gmx-users-bounces@gromacs.org</a> [mailto:<a href="mailto:gmx-users-bounces@gromacs.org" target="_blank">gmx-users-bounces@gromacs.org</a>] On Behalf Of An...</font></p>
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