[gmx-users] HELP

[Mark Abraham]

Hi,

Please try to use a descriptive subject for your email... you'll have a
better chance of getting the help you actually want ;-)

On Tue, Nov 20, 2018 at 3:40 PM Emmanuel Broni <ebroni002 at st.ug.edu.gh>
wrote:

> Hello Gromax Users,
> I was running a 100ns MD simulation on an hpc and it was terminated with
> the following comments in the log file. What does it mean and what do I do?
>

Probably your HPC allocation ran out of time and the job scheduler asked it
to stop with a TERM signal, so it did. You can now do a normal checkpoint
restart at your leisure.

Mark


> DD  step 39 load imb.: force 17.8%  pme mesh/force 0.925
>
> step 120 Turning on dynamic load balancing, because the performance loss
> due to load imbalance is 11.1 %.
>
> DD  step 49999  vol min/aver 0.776  load imb.: force  1.6%  pme mesh/force
> 0.861
>
> Received the TERM signal, stopping within 40 steps
>
>            Step           Time
>           51320      102.64000
>
> Writing checkpoint, step 51320 at Tue Nov 20 15:38:13 2018
>
> Thanks,
> Emmanuel
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