[CP2K-user] [CP2K:12738] job auto-termination without any error signal

lizzy bai baili... at gmail.com
Wed Jan 8 00:51:32 UTC 2020

Dear Pror.Travis and CP2K Users.

I am not sure if it has default Walltime in my job script file. But, when
using the same job settings, I can run lammps input file no matter how many
timesteps I setup.As I just use Cp2k for 2 months, I am not sure if there
is any problem with the input file.

Another problem is my current compiled CP2K6.1 can not run parallel nodes.
So here I just assign  20 cores for one node.I have no idea how to solve
this problem. I would be grateful if anyone who faced this similar problem
could provide any suggestion.

Thank you very much
Best regards


Travis <polla... at gmail.com> 于2020年1月8日周三 上午1:27写道:

> Hi,
> Is there a default walltime for your system? It looks like your
> calculations are quitting pretty consistently after ~18 hours. Can you set
> your walltime to 168 hours? Then you could add GLOBAL/WALLTIME 604440
> (167.9 hours) to stop a few minutes before hitting the max walltime to
> allow time to copy back your work.
> -T
> On Tuesday, January 7, 2020 at 12:05:49 PM UTC-4, lizzy bai wrote:
>> Dear Prof.Travis
>> Thank you very much for your relpy.
>> I am using below job script file instead of the PBS script format. And I
>> have not wrote the Walltime for that script.
>> #!/bin/bash
>> # pe request
>> #$ -pe fill_up 20
>> # our Job name
>> #$ -N md-aimd
>> #$ -S /bin/bash
>> #$ -q all.q
>> #$ -V
>> #$ -cwd
>> Best Wishes
>> Liyi
>> 在 2020年1月7日星期二 UTC+9下午11:15:56,Travis写道:
>>> Hi,
>>> What walltime are you requesting in your PBS script? The value you gave
>>> in GLOBAL/WALLTIME is over 9 days and it appears your job is terminated in
>>> less than 1 day, so this does nothing.
>>> -T
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