[gmx-users] run parallel

[Carsten Kutzner]

Salem,

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.

Carsten


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
http://www.mpibpc.mpg.de/research/dep/grubmueller/
http://www.gwdg.de/~ckutzne