[gmx-users] FSync error

Mark Abraham mark.j.abraham at gmail.com
Fri Mar 24 11:52:15 CET 2017


Mdrun can't access that file properly, but there's no real way for it to
understand why. A network file system could disappear and mdrun can't know
that. By the way, 4.5.6 is prehistoric - please update for faster
simulations, more chance of people being able to help you, and fewer bugs!


On Fri, 24 Mar 2017 09:34 Souparno Adhikary <souparnoa91 at gmail.com> wrote:

> I'm getting the following error in a 500ps pull code simulation. I checked
> out the forum for probable solve and it says it might be due to disk space
> usage or permission. In my case, I have enough disk quota left and I have
> permission to write in the directory. Can you please help?
> Usual MD simulations run fine. The error comes only when the pull code is
> applied.
> Error:
> -------------------------------------------------------
> Program mdrun_mpi, VERSION 4.5.6
> Source code file: checkpoint.c, line: 1287
> File input/output error:
> Cannot fsync 'tp_pull.xvg'; maybe you are out of disk space?
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> Attached is my mdp file for the pull code. Framed broadly on Justin
> Lemkul's tutorial *.mdp file.
> Can you please help to indicate what might be the problem?
> Thanks,
> Souparno Adhikary,
> University of Calcutta,
> India
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