Am 06.01.2020 um 04:45 schrieb lizzy bai <baili...@gmail.com>:
Dear CP2K UsersI 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>
--
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 cp2k+uns...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/3c41c3cc-f0c1-409b-b599-756ef951f95d%40googlegroups.com.
<new_waterair.inp><WATER-1.ener><aimd-md.o13606><WeChat Image_20200106123720.png><WeChat Image_20200106123725.png>
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/3628CE0D-873B-4CB0-9808-E4508BF56F66%40gmail.com.
Dear Liyi,
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/3628CE0D-873B-4CB0-9808-E4508BF56F66%40gmail.com.
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
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
--
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 cp2k+uns...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/e30035dc-f4d0-4059-b681-9eab5d9193f7%40googlegroups.com.