Hi,<div><br></div><div>If you don't get any takers, you could always just make a huge box of water (which usually dominates explicit-solvent MD costs) and run it. That way, you could scale up the size of the box arbitrarily to achieve good parallelization across that many cores. I'm not sure that'd be scientifically useful, but it sounds like it would fit your business needs just fine.<br>
<br><div class="gmail_quote">On Thu, Oct 6, 2011 at 9:43 AM, Maik Nijhuis <span dir="ltr"><<a href="mailto:maik.nijhuis@clustervision.com">maik.nijhuis@clustervision.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
Dear Gromacs users,<br><br>For one of our customers I have to test a cluster using a parallel application that runs for 1 week on 113 nodes with 12 cores each. The nodes have 20GB memory available. A large Gromacs simulation would be ideal. Unfortunately, I do not have a proper large input file for Gromacs.<br>
<br>Since I don't like wasting power and CPU cycles, I'd like to ask you if anyone has a large input file that will keep the cluster busy for one week. I will run the simulation for free using Gromacs 4.5.5, and send you the output.<br>
<br>Please send me an email when you're interested. First come, first serve.<br clear="all"><br>Regards,<br><br>Maik Nijhuis<br>-- <br><span></span><div><table style="font-size:7pt;font-family:Tahoma,Arial,Helvetica;padding:0px;border:1px solid rgb(234, 239, 242)" height="195" width="312">
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<tr><td style="padding-left:12px" nowrap valign="bottom"><font style="font-size:9pt;font-weight:bold">Dr. Maik Nijhuis<br></font><font style="font-size:7pt">HPC Benchmark Specialist<br> <br> <br>Direct: <a value="+31204077556">+31 20 407 7556</a><br>
Skype: maiknijhuis<br><a style="text-decoration:none;color:#3988c2" href="mailto:maik.nijhuis@clustervision.com" target="_blank">maik.nijhuis@clustervision.com</a></font><br> <br></td><td nowrap valign="bottom"><span> <br>
</span><font style="font-size:8pt;font-weight:bold">ClusterVision BV<br></font><font style="font-size:7pt">Nieuw-Zeelandweg 15B<br>1045 AL Amsterdam<br>The Netherlands<br>Tel: <a value="+31204077550">+31 20 407 7550</a><br>
Fax: <a value="+31847598389">+31 84 759 8389</a><br><a style="text-decoration:none;color:#003f77" href="http://www.clustervision.com/" target="_blank">www.clustervision.com</a></font><br> </td></tr></tbody></table></div>
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