I think the PME mesh part is ok and it should be less than 0.5 always. Regarding the nodes ask your administrator how many ppn one node have. example suppose if one node has 6 ppn then 12 nodes will have 72ppn which is sufficient to run md.
hope the above explanation helps you. Regards Vinoth On Wed, Oct 6, 2010 at 2:13 PM, #ZHAO LINA# <[email protected]> wrote: > Hi, > > Estimate for the relative computational load of the PME mesh part: 0.33 > > How do I set how many nodes I should use? > > #PBS -l nodes=12:ppn=4 > > What if the PME mesh part has different values? > > is it okay? Before I did those kind of very blindly, just based on the most > nodes I can use to hopefully run quickly. > > Thanks and best regards, > > lina > > -- > 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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