[gmx-users] time of simulation
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! Thank you very much for your kind help. Best, Mahmoud ___ gmx-users mailing listgmx-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
[gmx-users] CPU Usage
Hello Dear GMX Users, I have installed Gromacs 4 on a Quad PC. However, when I RUN the example (Water), the CPU usage is just 25%. It means that just one of the four CPUs are used. Please help me how I can change the status of calculation for using all of the four CPUs. Thank you very much in advance. Mahmoud ___ gmx-users mailing listgmx-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
[gmx-users] GMX Installation
Dear GMX Users, I want to Install Gromacs on Fedora 10 x86_64. I downloaded the rpm files of FFTW and Gromacs, however, I can not install the gromacs yet. Please guide me if you have information on this case. Thanks. Mahmoud ___ gmx-users mailing listgmx-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
