[gmx-users] Out of Disk Space

[MUSYOKA THOMMAS]

Hi Pavan,
When you use the grompp command to prepare the md.tpr file for the final
mdrun, do you notice such a statement "This run will generate roughly XXXXX
Mb of data". I suspect the resultant trajectory could be exceeding the
available space.


On Tue, Mar 4, 2014 at 4:12 PM, Pavan Kumar <kumar.pavan006 at gmail.com>wrote:

> Hi everybody,
> I am running mdrun_mpi V 4.6.5 for nsteps=10000000; 20 ns
> My simulation is getting stopped at 500ps and I am getting following error
> even though i have enough space on my cluster around 17 GB.
>
> *Cannot fsync 'md1.trr'; maybe you are out of disk space?*
> *Cannot fsync 'md1.log'; maybe you are out of disk space?*
>
>
>  I have executed for two times, each time i get different error.
>
> What is the reason for the above error. I am sharing my mdp file.
> Any help is appreciated.
> --
> Thanks & Regards,
> Pavan Kumar
> Project Engineer
> CDAC -KP
> Ph +91-7676367646
>
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