[gmx-users] CPU Usage

[Justin A. Lemkul]

mahmoud mirzaei wrote:
> Hello Dear GMX Users,
>  
>  
> I have installed Gromacs 4 on a Quad PC.
>  
> However, when I RUN the example (Water), the CPU usage is just 25%. It 
> means that just one of the four CPUs are used.
>  
> Please help me how I can change the status of calculation for using all 
> of the four CPUs.
>  

You need to install an MPI implementation, and configure Gromacs with --enable-mpi.

-Justin

> Thank you very much in advance.
>  
> Mahmoud<
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
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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