[gmx-users] Parallel run on IBM p575 "poe mpi"

[David van der Spoel]

liu xin wrote:
> Hi guys,
> just a short question, this is how I run a 8np mpi-mdrun job on my machine:
>  
> poe /home/usr/programs/gromacs331mpi/bin/mdrun -v -s 8np.tpr --procs 8 
> -nodes 8 -task_per_node 1 -single_thread yes -eager_limit 65535 
> -shared_memory
>  
> but it is much slower than the 1np mode, I havent used poe-mpi before, 
> is there something wrong with my options?
>  
probably. check your ibm documentation.

> Yours
> Xin
>  
>  
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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