[gmx-users] out of disk space error
jalemkul at vt.edu
Wed Dec 4 14:18:08 CET 2013
On 12/4/13 5:24 AM, amin at imtech.res.in wrote:
> I think so. You are outputting the information too often i.e every 0.2
> ps i.e. 5000 times per ns. See this thread
It is unlikely that a few hundred ps of NVT would fill up someone's disk if it
has several hundred GB available, but it can't hurt to reduce the output a bit.
Frequent writing could be taxing the filesystem unnecessarily.
It is also important to keep in mind that some desktop computers simply cannot
handle a simulation that would be best run on a cluster with high-performance I/O.
Justin A. Lemkul, Ph.D.
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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