Re: [gmx-users] simultaneous runs
Thank you very much Justin! it was helpful as usual. On Sun, Apr 5, 2015 at 9:40 AM, mah maz mahma...@gmail.com wrote: Dear all, I performed 2 runs one after the other. Then, I performed those 2 runs simultaneously(no special commands were applied, I just used different terminals with mdrun -v command) but in different directories. Results (like msd and energies) were expected to be nearly the same. but they are completely different. Does it mean that we cant perform several runs simultaneously? Thanks! -- 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.
Re: [gmx-users] simultaneous runs
On 4/5/15 1:10 AM, mah maz wrote: Dear all, I performed 2 runs one after the other. Then, I performed those 2 runs simultaneously(no special commands were applied, I just used different terminals with mdrun -v command) but in different directories. Results (like msd and energies) were expected to be nearly the same. but they are completely different. Does it mean that we cant perform several runs simultaneously? Independent runs have no effect on each other. All you're seeing is the random nature of MD. http://www.gromacs.org/Documentation/Terminology/Reproducibility -Justin -- == Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 629 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.
[gmx-users] simultaneous runs
Dear all, I performed 2 runs one after the other. Then, I performed those 2 runs simultaneously(no special commands were applied, I just used different terminals with mdrun -v command) but in different directories. Results (like msd and energies) were expected to be nearly the same. but they are completely different. Does it mean that we cant perform several runs simultaneously? Thanks! -- 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.
