Thamu wrote:
Hi
Recently I successfully installed the gromacs-4.0.5 mpi version.
Possibly.
I could run in 8 cpu. but the speed is very slow.
Total number of atoms in the system is 78424.
while running all 8 cpu showing 95-100% CPU.
How to speed up the calculation.
You haven't given us any diagnostic information. The problem could be
that you're not running an MPI GROMACS (show us your configure line,
your mdrun command line and the top 50 lines of your .log file).
Mark
_______________________________________________
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
