[gmx-users] Simulations stop running after reaching specific time step

Mark Abraham mark.j.abraham at gmail.com
Tue Jun 27 12:55:28 CEST 2017


Hi,

Most likely a network file system that has dropped out. These tend to
report to the application that the data was written (but actually only to a
memory buffer), so it continues on. Then when there's nowhere for the
memory buffer to be written, there's nobody to report that to...

Mark

On Tue, Jun 27, 2017 at 9:44 AM Shobha Sharma <ssbhardwaj2028 at gmail.com>
wrote:

> Hello,
>
> I am submitting few simulations, after providing the wall time enough to
> finish the jobs. But after reaching a certain time step, in case of all
> jobs, the output files are not written beyond that time step.
>
> For example if I check my .log file, using 'tail -f md.log'  I find that it
> is not writing anything even though job is running. It utilizes whole wall
> time given and ends without writing any further time steps.
> In the end it does not even write about any problem faced. Job ends due to
> end of wall time.
>
> What might be the reason behind this?
>
> --
> Thanks and Regards,
> Shobha
> --
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