On Wed, 28 Mar 2012 17:31:47 +0200 Albert <[email protected]> wrote:
> I am using gromacs for membrane simulation (under CHARMM36 FF) which > contains around 80,000 atoms. I've submitted over 200 CPU in the > cluster for such system with 2 fs time step. And what really > astonished is that the efficiency for such simulation is only > 3ns/day..... I am wondering what happen to my system or gromacs? What > can I do to fasten the simulation? In addition to Justin's comment, you could also have a look into our benchmark reports at http://www.stfc.ac.uk/CSE/randd/cbg/Benchmark/25241.aspx to give you a feeling for performance. Cheers, Hannes. -- Scanned by iCritical. -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
