sorry Justin, I am familiar with this information in the link. But I do not
know  * I/O*   and   *MPI-IO*   which is not in the link ?
and I was asked from our HPC if I use them in Gromacs.



On Fri, Mar 2, 2018 at 2:43 PM, Justin Lemkul <jalem...@vt.edu> wrote:

>
>
> 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/m
> drun-performance.html
>
> -Justin
>
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> Assistant Professor
> Virginia Tech Department of Biochemistry
>
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