[gmx-users] parallelization

[Justin Lemkul]

On 3/2/18 8:40 AM, Amin Rouy wrote:
> Hi
>
> I am not so familiar with parallelization. Can some one please tell me if
> Gromacs
> use MPI-parallel I/O (MPI-IO), or one should do it by himself for his MPI
> jobs?

Everything you need to know is in the manual:

http://manual.gromacs.org/documentation/current/user-guide/mdrun-performance.html

-Justin

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Justin A. Lemkul, Ph.D.
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Virginia Tech Department of Biochemistry

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