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 -- ================================================== 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 ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.