[gmx-users] MPICH and scaling performance

David van der Spoel spoel at xray.bmc.uu.se
Fri Feb 15 14:05:30 CET 2002

On Fri, 15 Feb 2002, Anton Feenstra wrote:

>I just finished installing gromacs here on our linux cluster 
>(1GHz Athlon 1 CPU/node) running 2.4.6 kernel (RH 7.0) and using
>MPICH 1.1.2 and 'standard' ethernet connections. 
Maybe you should try LAM instead, we have had more complaints about MPICH

Furthermore try the grompp -sort option.

Finally are these machines on a switch or a hub? You need a switch for 
parallel runs.

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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