[gmx-users] run parallel

Carsten Kutzner ckutzne at gwdg.de
Thu Jun 5 09:16:11 CEST 2008


you really have to give more information. With the few lines you
provide, it is nearly impossible to give hints. It could even be
normal that you do not see a speedup, e.g. if your system is very
small (less than a thousand atoms?). So please let us know about
that, and also give the exact command line(s) you used, and maybe
attach and mdp input file and/or an output log.


ha salem wrote:
> dear users
>  I have installed gmx 3.3.3 on my machines,they are intel quad with 4 
> cores but when I run
> with "-np 4" option its not faster and time of calculation is the same 
> with one core
> I installed lam-mpi properly and before I execute lamboot but I cant get 
> more speed on my
> calculations
> thank you
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Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics Department
Am Fassberg 11
37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

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