[gmx-users] parallel simulation in dual core PC

Hsin-Lin jiangsl at phys.sinica.edu.tw
Tue Apr 20 16:55:59 CEST 2010


I want to use my dual core PC to do the simulation.
The version of GROMACS installed is version 4.0.5.
According the message post by others on mailing list before.
I type "lamboot" first, and type the commend:
mpirun -np 2 mdrun_mpi -s 200ns.tpr -e 200ns.edr -o 200ns.trr -g 200ns.log
-c 200ns.gro.
When the simulation starts, I use the commend, "top", to check the utility
of CPU.
I found there is only one core which is used by GROMACS.
And the utility of this core is separated to 52% and 48% for two mdrun_mpi
How can I do for that?
Any and all assistance is greatly appreciated.


More information about the gromacs.org_gmx-users mailing list