[CP2K-user] [CP2K:19746] one input and three computers

Mary mariakryukova5 at gmail.com
Sat Jan 13 14:51:10 UTC 2024


Dear all! 

My question is of a technical character. It is possible to run the same 
input file (attached to the letter) on two computers, but convergence does 
not occur on another. Why do you think this is happening, and what could 
explain it? 
I would appreciate any recommendations. 

Best regards, Mariya

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