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.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalem...@vt.edu | (540) 231-3129
http://www.biochem.vt.edu/people/faculty/JustinLemkul.html

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