[gmx-users] [gmx-users]Running gromacs in parrallel environment.

[Anton Feenstra]

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.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| 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/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
|_____________|_______________________________________________________|