[gmx-users] Number of processors in parallel running

[Justin A. Lemkul]

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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-- 
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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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