[gmx-users] Running Multiple simulation in single PC.
ckutzne at gwdg.de
Wed Apr 29 13:28:04 CEST 2015
> On 29 Apr 2015, at 10:59, RJ <rajiv at kaist.ac.kr> wrote:
> Dear all,
> I have a 64 bit PC with 16 processor with GTX460 gpu and wants to run multiple simulation.
> One simulation takes (~120 aa length) for 100ns about 4-5 days, whereas when i subject same protein into 100ns, it shows it will take over a month to finish.
> Is that any command that can use the cpu and gbu parallel? Thanks for your suggestion.
Compile with CUDA and OpenMP support, then mdrun will take care of the rest.
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
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