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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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