On Sat, 2009-07-25 at 15:16 -0700, mahmoud wrote: > Hello Dear GMX Users, > > > I have installed Gromacs 4 on a QUAD computer by Fedora 11. > > When I do not use the "mpirun -np 4 g_mdrun ... " command, just one > CPU is used. > When I use the "mpirun -np 4 g_mdrun ... " command, all of the 4 > CPUs are used. > > But the problem is that the time of simulation, although 4 CPUs are > used, does not change by using the mpirun command! > > Can you help me please how I can fasten the time of simulation!
If you are using the Fedora RPMs, you need to run $ mpirun -np 4 g_mdrun_mpi instead of $ mpirun -np 4 g_mdrun as the latter will just get you four independent processes that all perform the same calculation. -- ------------------------------------------------------ Jussi Lehtola, FM, Tohtorikoulutettava Fysiikan laitos, Helsingin Yliopisto jussi.leht...@helsinki.fi, p. 191 50632 ------------------------------------------------------ Mr. Jussi Lehtola, M. Sc., Doctoral Student Department of Physics, University of Helsinki, Finland jussi.leht...@helsinki.fi ------------------------------------------------------ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.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
