[Pw_forum] How to choose number of pools

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Thu Apr 30 17:23:09 CEST 2009

On Thu, 2009-04-30 at 17:09 +0200, Lorenzo Paulatto wrote:
> In data 30 aprile 2009 alle ore 16:57:46, Ihsan Erikat <ihsanas at yahoo.com>  
> ha scritto:
> > Thank you, the CPU are mpd connection


mpd are the processes that MPICH-2 generates upon 
initializing the parallel environment.

that doesn't really help much, but it is likely
that the cluster is running with GigE at best.

> I don't know what it is, if it's not faster that a 10/100/1000 ethernet  
> card your best bet is to use 8 processors and 8 pools, leaving 2  
> processors idle. Also, make sure that your outdir is set to some directory  

better yet. run with -np 8 and put a second job on the other two. ;-)


> local to the nodes, e.g. /tmp, otherwise the overhead introduced when  
> saving the restart data may kill the performance.
> best regards

Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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