[gmx-users] time estimation script

David van der Spoel spoel at xray.bmc.uu.se
Tue Feb 27 10:33:48 CET 2007


Martin Höfling wrote:
> Hi there,
> 
> has anybody here already written a time estimatior script to find out how many 
> ps/day one can calculate on a specific machine? Or did i miss a gromacs 
> feature to do this?
> 
> Cheers
> 	Martin
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mdrun -v


-- 
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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