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 > > -- > ================================================== > > 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. > -- 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.