Thank you, Justin. I am using GMX 4.0.2. Do I need to have the -np option in all grompp and mdrun commands? Thanks in advance!
Peggy On Tue, Feb 17, 2009 at 3:02 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Peggy Yao wrote: > >> Dear all, >> >> In order to run Gromacs on multiple processors, I should put the number of >> processors in the commands. For example, >> >> grompp -np <nr> -o topol.tpr <other options> >> >> > Only if you're using GMX < 4.0. > > >> My question is: nr should be the number of processors, or the number of >> cores? If I have a quad-core processor, should I put 4? >> >> > Number of cores. Try it and you will see. > > -Justin > > Thanks, >> Peggy >> >> >> >> >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the www >> interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > -- > ======================================== > > Justin A. Lemkul > Graduate Research Assistant > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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