[CP2K-user] [CP2K:12722] job auto-termination without any error signal

[lizzy bai]

Dear Prof.D.Kuhne and CP2K users,

I have tried to use the WALLTIME as following, the job still
auto-terminated after around 1500 timesteps.
Does anyone who have any idea about this auto-terminated problem?
Thank you very much!

&GLOBAL
  PROJECT WATER
  RUN_TYPE MD
  WALLTIME 800000
  IOLEVEL  LOW
&END GLOBAL


Best regards

Liyi



Thomas Kühne <tku... at gmail.com> 于2020年1月6日周一 下午6:49写道：

> Dear Liyi,
>
> you can use GLOBAL/WALLTIME to terminate your job safely
> a half a minute before the hard timeout of your scheduler.
>
> Cheers,
> Thomas
>
> Am 06.01.2020 um 04:45 schrieb lizzy bai <baili... at gmail.com>:
>
> Dear CP2K Users
>
>
> I am modeling the system of water-air by running the AIMD.
> After running around 1500 timesteps, the job automaticlly terminated
> without any error signal.
> Then I restart the job, the restarted job automatically terminated again
> after running around 1500timesteps.
> Now I have restarded 3 times and tried the version of CP2K 5.1 and 6.1. it
> still face this type of problem.
> Here I attached the input file, .ener file and output file.
>
> Does anyone can give me any suggestion about this situation?
>
> Thank you very much.
> <WeChat Image_20200106123720.png>
> <WeChat Image_20200106123725.png>
>
>
>
> Best Wishes
>
> Liyi
>
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp... at googlegroups.com.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/3c41c3cc-f0c1-409b-b599-756ef951f95d%40googlegroups.com
> <https://groups.google.com/d/msgid/cp2k/3c41c3cc-f0c1-409b-b599-756ef951f95d%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
> <new_waterair.inp><WATER-1.ener><aimd-md.o13606><WeChat
> Image_20200106123720.png><WeChat Image_20200106123725.png>
>
>
>
>
> ==============================
> Thomas D. Kühne
> Dynamics of Condensed Matter
> Chair of Theoretical Chemistry
> University of Paderborn
> Warburger Str. 100
> D-33098 Paderborn
> Germany
> tdku... at mail.upb.de
> +49/(0)5251/60-5726
>
> --
> You received this message because you are subscribed to the Google Groups
> "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an
> email to cp... at googlegroups.com.
> To view this discussion on the web visit
> https://groups.google.com/d/msgid/cp2k/3628CE0D-873B-4CB0-9808-E4508BF56F66%40gmail.com
> <https://groups.google.com/d/msgid/cp2k/3628CE0D-873B-4CB0-9808-E4508BF56F66%40gmail.com?utm_medium=email&utm_source=footer>
> .
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200107/24f38b88/attachment.htm>