[gmx-users] Preliminary report on benchmark on Opteron Cluster Infiniband on current CVS version

[David van der Spoel]

Erik Lindahl wrote:
> Hi,
> 
> On Apr 17, 2007, at 6:26 PM, Luca Ferraro wrote:
> 
> 
>>     /usr/bin/time mpiexec -n ${proc} mdrun_mpi -d 1 ${proc} 1
> 
> For a start, the domain decomposition flag is "-dd" :-)
> 
> Cheers,
> 
In addition you should add the -dlb flag for load balancing.


-- 
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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