[gmx-users] Long trajectory split
marcelodepolo at gmail.com
Sun Feb 23 17:32:52 CET 2014
Maybe I should explain it better.
I am using "*mpirun -np 24 mdrun -s prt.tpr -e prt.edr -o prt.trr*", pretty
much a standard line. This job in a batch creates the outputs and, after
some (random) time, a back up is done and new files are written, but the
job itself do not finish.
2014-02-23 17:12 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:
> On 2/23/14, 11:00 AM, Marcelo Depólo wrote:
>> But it is not quite happening simultaneously, Justin.
>> It is producing one after another and, consequently, backing up the files.
> You'll have to provide the exact commands you're issuing. Likely you're
> leaving the output names to the default, which causes them to be backed up
> rather than overwritten.
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
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Marcelo Depólo Polêto
Uppsala Universitet - Sweden
Science without Borders - CAPES
Phone: +46 76 581 67 49
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