Peggy Yao wrote:
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>
Only if you're using GMX < 4.0.
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?
Number of cores. Try it and you will see.
-Justin
Thanks,
Peggy
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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