[gmx-users] more than 100% CPU

Park, Jae Hyun nmn parkj at ornl.gov
Fri Aug 19 01:19:51 CEST 2011

Hi GMX users,

I installed GMX 4.5.3 recently.
But, when I just execute mdrun (without mpi, I did not installed mpi-version of mdrun), the use of CPU appears more than 100% ("top" command in LINUX). How is it possible?
For example, I am using 16-node machine. And if I simply run "mdrun", then  use of CPU is 1600%!!.
The simulation runs well and the results looks reasonable.
Is there anybody who can teach me what is happening? I would deeply appreciate.

Jae H. Park

Jae Hyun Park, Ph. D.
Physics Division
Oak Ridge National Laboratory
PO. Box 2008, MS-6372
Oak Ridge, TN 37831
Phone (865) 241-1482
E-mail parkj at ornl.gov

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