But i can visually see that only one of my cores is running to 100% but i want 4 of them to work simultaneously giving me a guranteed 6-8 Gflops whereas right now i am just getting 2 .How can i achieve that...???
On Sun, Dec 21, 2008 at 6:05 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > > Chitrita Dutta Roy wrote: > >> Thanks to all for helping me previously. >> Now i am unable to arrange the .tpr file for position restraint mdrun on a >> quad core as in version 4.0.2 grompp -np is not a valid comand can anybody >> help me in building a tpr file for parallel run on 4 cores of a quad core >> machine .I have installed gromacs using Open MPI Library and my files are >> suffixed as _mpi. >> > > There is no need for grompp -np in 4.0 and above, as has been discussed > several times on this list. Then execute mdrun as usual. > > -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 >> > > -- > ======================================== > > 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 >
_______________________________________________ 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