[CP2K-user] [CP2K:19977] Warning prompted when CP2K runs MD

Yibo Wang (Seeker) yibowang333 at gmail.com
Thu Feb 29 02:25:09 UTC 2024


Hello everyone,

I found this error message in the output file of  AIMD simulation with 
CP2K: *** WARNING in fm/cp_fm_elpa.F:522:: Setting real_kernel for ELPA 
failed ***. Although the results can converge normally, I don't know 
whether these errors will affect the running speed of MD.Also, is there any 
solution to this peoblem?

Appreciate a lot for your help.

Best wishes,
Yibo Wang

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