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On October 28, 2010 at 4:05 AM fancy2012 <fancy2012@yeah.net> wrote:<br />
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Dear GMX users,
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I have a problem when I run gromacs-4.5.1 on a cluster, I can only do paralleled running using 1 node, which is 8-cpu, but when I use more nodes, it will abort abnormally. Could someone help me figure it out? Thanks very much!
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<p style="margin: 0px;">Gromacs 4.5.1 is somewhat viral on cpu (takes all of them if not told otherwise). I you submit multiple jobs to a node without telling gromacs (ie. mdrun) how many cpus to use, all the jobs will use all the cpus simultaneously. This can cause job failure.</p>
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All the best,
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fancy
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<p style="font-family: monospace; white-space: nowrap; margin: 5px 0px 5px 0px;">TJ Mustard<br />
Email: mustardt@onid.orst.edu</p>
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