hey thanks Sander for bringing my attention to -nt option.. ;)<br><br>--<br>sikandar<br><br><br><div class="gmail_quote">On Thu, Oct 14, 2010 at 6:08 AM, Sander Pronk <span dir="ltr"><<a href="mailto:pronk@cbr.su.se">pronk@cbr.su.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div class="im"><br>
On 14 Oct 2010, at 05:49 , Sikandar Mashayak wrote:<br>
<br>
> Recently I installed gromacs4.5.1 without mpi support on my workstation with 8 cores using cmake and make -j 8, make install commands ( as suggested on installation instructions).<br>
><br>
> Now when I do mdrun it automatically utilizes all the cores and runs much faster than earlier version (4.0.7) , which was not using all cores.<br>
><br>
> I am also surprised , how can mdrun runs on 8 cores without explicitly specifying no. of cores? Its good that mdrun is using all cores, but there may be situations when I dont want mdrun to use all cores. Can I anyone suggest how to control that?<br>
<br>
<br>
</div>use the '-nt' option of mdrun to specify the number of threads.<br>
<div><div></div><div class="h5"><br>
<br>
--<br>
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