I get bad scaling with 8 cpus. http://www.gromacs.org/index.php?option=com_wrapper&Itemid=84
> I'm not seeing how openmpi (the implementation) can be > allocating cpus "depending on what options gromacs was originally > compiled with". I do not see immediately how either, but just seemed logical to me. I may be wrong On Nov 2, 2007 4:28 PM, Mark Abraham <[EMAIL PROTECTED]> wrote: > himanshu khandelia wrote: > > Hi Mark, > > > > I do not want to request two separate 1-node jobs, so that I can make > > maximum use of the MAUI queue algorithm on our local cluster, which > > sometimes favors jobs which utilize more resources. > > So what about using 8-cpu jobs? > > > I posted on this list, because someone here might have faced a similar > > problem before, and because how openmpi allocates cpus also depends on > > what options gromacs was originally compiled with (in connection to > > MPI). So its not strictly a 100% openmpi question. > > GROMACS is using the MPI protocol in a manner independent of the > implementation. I'm not seeing how openmpi (the implementation) can be > allocating cpus "depending on what options gromacs was originally > compiled with". > > > Mark > _______________________________________________ > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
