[gmx-users] [gmx-users]Running gromacs in parrallel environment.
feenstra at chem.vu.nl
Tue Aug 12 09:02:03 CEST 2003
Vishal Kumar Sinha wrote:
> Further , I want to run modify demo program so that
> I can run it on multiple nodes. Kindly let me know
> the changes needed to be made.
The demo program is only useful for demo. Do not use it for anything
else, I have seen several people getting terribly confused trying to
do that. If you want to test your parallel set-up, try one of the
benchmark systems. Try first on one CPU (you can compare the timings
with the web-pages), then on multiple.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
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