[gmx-users] Number of processors in parallel running

Peggy Yao peggy.yao at gmail.com
Wed Feb 18 00:00:02 CET 2009


Dear all,

In order to run Gromacs on multiple processors, I should put the number of
processors in the commands. For example,

grompp -np <nr> -o topol.tpr <other options>


My question is: nr should be the number of processors, or the number of
cores? If I have a quad-core processor, should I put 4?

Thanks,
Peggy
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