[CP2K-user] [CP2K:18030] CP2K version 2022-1 simulation error.

Falonne NKOU falonnenkou at gmail.com
Tue Nov 15 09:49:27 UTC 2022


Hi everyone,
I have a problem with cp2k v2022-1 that I have installed on a large cluster
where I have an account. I have tried to run a calculation which works
perfectly on small clusters where cp2k v9.1 is installed but crashes every
now and then on the large cluster. Please find attached my input and output
files, hoping that someone can help me solve this problem.
Please note that I even tried to reduce the threshold without any success.
Thanks in advance for your help,

Best Regards,
Falonne

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