Hi Anushree, You're not using a single cpu, although you probably think you do. Is this em in vacuum or just a small system? Either way, you can enforce running on a single cpu by adding '-nt 1' to the mdrun options.
Cheers, Tsjerk On Jan 31, 2012 7:53 AM, "Anushree Tripathi" <[email protected]> wrote: I am using single CPU for this simulation. On Tue, Jan 31, 2012 at 11:09 AM, Emanuel Birru <[email protected]> wrote: > > > > > From: [email protected] [mailto: > [email protected]] On Behalf Of An... > -- > 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 > -- 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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