On 7/31/14, 8:36 AM, Urszula Uciechowska wrote:
Can anyone help me with this error file? I did not get the log file...
There is no error here. I assume this is what is concerning:
Gromacs binary or parallel settings not identical to previous run. Continuation is exact, but is not guaranteed to be binary identical, see the log file for details.
This means you're either changing Gromacs versions between runs (bad idea) or changing something about how the run is parallelized. As the message cautions, this can lead to differences in behavior that would not have occurred if what you were doing was consistent. Absent any version or command information, there's little else to say.
-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.
