[gmx-users] cannot rename checkpoint file

Justin A. Lemkul jalemkul at vt.edu
Mon Jan 24 15:53:33 CET 2011

ram bio wrote:
> Dear Gromacs users,
> I am running an all-atom simulation of protein-ligand complex in lipid
> bilayer on a server, while running the  job after some time, my job
> terminates with an error as under:
> Program mdrun, VERSION 4.0.3
> Source code file: checkpoint.c, line: 859
> File input/output error:
> Cannot rename checkpoint file; maybe you are out of quota?
> Please suggest how to overcome this error.

The error suggests you are out of disk space.  Is this the case?  Otherwise, I'd 
suggest upgrading your Gromacs version.  Dozens of bugs have been fixed.


> Best,
> Ram


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list