[gmx-users] Running the Benchmarks

David spoel at xray.bmc.uu.se
Tue Feb 24 01:55:01 CET 2004

On Mon, 2004-02-23 at 22:22, Tranchemontagne, Denis wrote:
> Hello
> I have a couple of questions? First to run the benchmarks d.villin
> etc, is all I need to do is grompp -v then mdrun -v for a single cpu? 
> Or are there other switches that I should include.
No, except in parallel you want to add grompp -shuffle

> The second question to run a Dual Processor box, do I need MPI running
> or are there other ways?
Yes, MPI.

> Thanks
> Denis
David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel

More information about the gromacs.org_gmx-users mailing list