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

Thomas Kühne tku... at gmail.com
Mon Jan 6 09:49:45 UTC 2020

Dear Liyi, 

you can use GLOBAL/WALLTIME to terminate your job safely 
a half a minute before the hard timeout of your scheduler. 


> 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> <about:invalid#zClosurez>
> Best Wishes
> Liyi
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> <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
tdku... at mail.upb.de

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