[gmx-users] Writing checkpoint
jalemkul at vt.edu
Tue Dec 8 17:38:56 CET 2015
On 12/8/15 11:36 AM, masoud keramati wrote:
> can i run gromacs in parallel using two different computers?
I think you should spend some time reading the manual, website, mailing list
archive, and published GROMACS papers.
> On 12/8/15, Justin Lemkul <jalemkul at vt.edu> wrote:
>> On 12/8/15 10:17 AM, masoud keramati wrote:
>>> hi to all
>>> in the mdrun log file i see "Writing checkpoint, step 47840 at Tue Dec
>>> 8 18:42:52 2015".
>>> what means of this Writing checkpoint?
>> mdrun is writing a checkpoint file. You can use it to extend the run,
>> after a power outage, etc.
>> 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
>> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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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
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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