[gmx-users] parallel mdrun

Jarol E. Molina hamolina22 at gmail.com
Wed Sep 16 18:03:00 CEST 2009

Hi all

 I have a single machine with multilpe processors. I want run mdrun with 8
processors and I use the options

 % mdrun – np 8 -s toppl.tpr -v -N 8

 I see in the system monitor that just one procesor is running, if I use

 %mdrun_mpi -np 8 -s topol.tpr -v -N 8

 I see the same in the system monitor

 Any suggestion would be of great help

              Jarol E Molina, I.Q., M.S.
Estudiante Doctorado en Ingeniería - Sistemas Energéticos
Universidad Nacional de Colombia - Sede Medellín
jemolina at unal.edu.co
jemolina at unalmed.edu.co
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