[gmx-users] error - decomposition

Justin Lemkul jalemkul at vt.edu
Tue Sep 20 17:57:09 CEST 2016

On 9/20/16 11:33 AM, Marta Wisniewska wrote:
> Dear Users,
> I have problem with ranks:
> Fatal error:
> There is no domain decomposition for 288 ranks that is compatible with the
> given box and a minimum cell size of 1.02425 nm
> Change the number of ranks or mdrun option -rcon or -dds or your LINCS
> settings
> I change the size of box, but it doesn't help. Do you have any suggestion
> of this job?

Your system is too small to be efficiently decomposed over that many ranks.  Use 
fewer ranks.



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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