[gmx-users] cannot rename checkpoint file

2011-01-24 Thread ram bio
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.

Best,

Ram
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Re: [gmx-users] cannot rename checkpoint file

2011-01-24 Thread Justin A. Lemkul



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.


-Justin


Best,

Ram


--


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin


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