[gmx-users] Cannot rename checkpoint file

Justin Lemkul jalemkul at vt.edu
Thu Oct 30 13:02:32 CET 2014

On 10/30/14 4:55 AM, Kannan S wrote:
> Dear all Gromacs users,
>        I am running MD simulation using Gromacs in Cluster. In my 3.5ns, it
> goes smooth and after that when i view my md.log file, it shows that "File
> input/output error:Cannot rename checkpoint file; maybe you are out of
> quota?"
> Please let me know how to rectify the error... But the MD job is running...

Either you're out of disk space (note that "quota" has been changed to "disk 
space" in recent versions of the code for clarity) or your file system had a 
blip that prevented writing of the .cpt file.



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


More information about the gromacs.org_gmx-users mailing list