are you sure that your binary is parallel? how many frames do those trajectory files contain?
Dr. Vitaly V. Chaban On Sun, Feb 23, 2014 at 5:32 PM, Marcelo Depólo <marcelodep...@gmail.com> wrote: > Maybe I should explain it better. > > I am using "*mpirun -np 24 mdrun -s prt.tpr -e prt.edr -o prt.trr*", pretty > much a standard line. This job in a batch creates the outputs and, after > some (random) time, a back up is done and new files are written, but the > job itself do not finish. > > > 2014-02-23 17:12 GMT+01:00 Justin Lemkul <jalem...@vt.edu>: > >> >> >> On 2/23/14, 11:00 AM, Marcelo Depólo wrote: >> >>> But it is not quite happening simultaneously, Justin. >>> >>> It is producing one after another and, consequently, backing up the files. >>> >>> >> You'll have to provide the exact commands you're issuing. Likely you're >> leaving the output names to the default, which causes them to be backed up >> rather than overwritten. >> >> >> -Justin >> >> -- >> ================================================== >> >> Justin A. Lemkul, Ph.D. >> Ruth L. Kirschstein NRSA Postdoctoral Fellow >> >> Department of Pharmaceutical Sciences >> School of Pharmacy >> Health Sciences Facility II, Room 601 >> University of Maryland, Baltimore >> 20 Penn St. >> Baltimore, MD 21201 >> >> jalem...@outerbanks.umaryland.edu | (410) 706-7441 >> http://mackerell.umaryland.edu/~jalemkul >> >> ================================================== >> -- >> 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. >> > > > > -- > Marcelo Depólo Polêto > Uppsala Universitet - Sweden > Science without Borders - CAPES > Phone: +46 76 581 67 49 > -- > 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.