[gmx-users] Reply To: Fatal Error - XTC error - maybe you are out of disk space?

[Christopher Neale]

If Justin's right, then you should be able to solve the problem by saving less frequently (xtc, edr, cpt, trr). If you're running on a laptop and overwhelming the hard drive bandwidth, then I can almost guarantee you're saving 100x more than you need to for most systems. Unless you have a very specific goal (like kinetics of water), try saving a frame every 100 ps.
________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Justin Lemkul <jalemkul at vt.edu>
Sent: 18 April 2017 08:19:07
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Reply To: Fatal Error - XTC error - maybe you are out of disk space?

On 4/17/17 10:36 AM, Kelechi Okoroafor wrote:
> Thank you so much for your response, Justin.
>
> Please is there something I can do to fix this? Or is it beyond my control?

There's not much to go on in terms of troubleshooting.  But desktop computers
are not generally built to handle the I/O and computing burden of an MD simulation.

-Justin

--
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

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