[CP2K-user] [CP2K:19651] MPI err
Zhaoyu Tang
tangzhaoyu163 at 163.com
Tue Dec 12 12:33:37 UTC 2023
Dear everyone, when I submitted the HESA.inp file, the calculation ended
very quickly with the following error "[image: 1702384308046.png]".
However, when I run the.inp file provided by someone else, cp2k works fine.
However, I can't find the error in my inp file, can you help me find it?
Thank you!
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