[CP2K-user] [CP2K:17833] error in QM/MM simulation output

Havva Mehralitabar hmehralitabar at gmail.com
Tue Oct 11 06:37:50 UTC 2022


hello everyone
I am using Cp2K 2202.1 to run a  qmmm run for my system 
:in the output file which gets converged  I have repeated errors as: 
*** WARNING in fm/cp_fm_elpa.F:521 :: Setting real_kernel for ELPA failed 
***
I wanted to know what is the cause of this warning and my result will be 
affected by this error?

thank you in advanced

Havva Mehralitabar
PhD in Biophysics

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/e6a251f9-069d-4262-a2bf-3dc154a0cb23n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221010/aee745dc/attachment-0001.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Complex1.inp
Type: chemical/x-gamess-input
Size: 4823 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221010/aee745dc/attachment-0001.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: Screenshot 2022-10-11 100647.png
Type: image/png
Size: 60768 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221010/aee745dc/attachment-0001.png>


More information about the CP2K-user mailing list