[CP2K-user] Large amount of warnings in linear response calculation

Siebe Vanlommel siebe.v... at ugent.be
Fri Nov 8 14:33:12 UTC 2019


Hi all,

I'm doing a linear response NMR calculation on an aluminosilicate 
structure. Everything converges, but at the end of the linear response 
calculation, the following error is printed >2000 times:

 *** WARNING in dbcsr/dbcsr_api.F:1833 :: You should not add existing 
blocks according to old API. ***


 The NMR properties are printed out normally in the data files. Full output 
is attached. I'm running intel compiled CP2K version 5.1.

Is this a warning which I need to worry about, or can I safely ignore it?

Any help in understanding this is greatly appreciated!

Best regards,
Siebe


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