Op 30 mar 2012 om 19:02 heeft Albert <[email protected]> het volgende geschreven:
> Hello: > > I am wondering does anybody have experience with GROMACS for large scale > simulation? I've heard lot of people said that it would be difficult for > Gromacs to do so. eg: I've got a 60,000 atoms system, is it possible for > GROMACS to produce 100 ns/days or even more? suppose I can use as much CPU as > possible.... My recent experience for such system, Gromacs can only produce > up to 20ns/day.... If I would like to produce 1000 ns, I have to wait for 50 > days...... > We are about to publish a paper where have 1,2 million atoms and get 30 ns/day. On 2000 cores. > thank you very much > > best > A. > -- > 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
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