[gmx-users] Fatal error: XTC error

Erik Lindahl lindahl at sbc.su.se
Mon Dec 5 15:28:17 CET 2005


In short, it means that gromacs got a non-zero return code when using  
the XTC routines to write to a file (probably your trajectory).

This is almost certainly due to an I/O error. Common explanations  
besides a full disk are:

1. Output file exceeds 2Gb on a non-largefile filesystem (e.g. NFSv2)
2. Your quota is full
3. Disk hardware error
4. Network error if you use NFS

In theory it might also happen if you try to write coordinates that  
involve "NaN", but if it happened during a run I think other routines  
would have caught a severely crashing simulation first.



On Dec 5, 2005, at 3:03 PM, Rahul Karyappa wrote:

> Dear all,
>    I had started the MD run for 5ps(5000 steps) on my model. But  
> after 490 steps of MD run it gave me following error:
> Fatal error: XTC error
> What is the reason for this? I checked the disk space but it is not  
> full. PLease let me know about this. Thanking you in advance.
> Rahul Karyappa
> *****************************************************************
> This email is virus free by TrendMicro Inter Scan Security Suite.
> *****************************************************************
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.

Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20051205/5c024677/attachment.html>

More information about the gromacs.org_gmx-users mailing list