[gmx-users] out of disk space error

vaani vsharma at imtech.res.in
Thu Dec 5 06:34:35 CET 2013

On 12/4/13 5:24 AM, amin at .res 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
> http://comments.gmane.org/gmane.science.biology.gromacs.user/32721

It is unlikely that a few hundred ps of NVT would fill up someone's disk if
has several hundred GB available, but it can't hurt to reduce the output a
  Frequent writing could be taxing the filesystem unnecessarily.

It is also important to keep in mind that some desktop computers simply
handle a simulation that would be best run on a cluster with
high-performance I/O.



Justin A. Lemkul, Ph.D.
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

hi justin,
i have already run simulations on this work station before also without any
such disk space problem. i am facing this problem now only after installing
ubuntu and gromacs freshly, 


thanks in advance :)
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