[gmx-users] out of disk space error

[bipin singh]

If none of the earlier suggestions worked then, it could be a simple
problem of power port from which you have connected your hard disk. Try
reconnecting the hard disk and and retry running the mdrun.

Posting the exact commands used while writing the output during mdrun, may
help to trace the problem.


On Thu, Dec 5, 2013 at 11:03 AM, vaani <vsharma at imtech.res.in> wrote:

>
> 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
> 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
>
> --
> ==================================================
>
> 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,
>
> best
>
>
>
>
> -----
> thanks in advance :)
> --
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-- 



*--------------------Thanks and Regards,Bipin Singh*