[CP2K-user] [CP2K:17834] error in QM/MM simulation output

[Krack Matthias (PSI)]

Hi Havva

The results should not be affected, but possibly the performance. You can set PREFERRED_DIAG_LIBRARY ScaLAPACK in the &GLOBAL section to get rid of that warning.

HTH

Matthias

From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Havva Mehralitabar <hmehralitabar at gmail.com>
Date: Tuesday, 11 October 2022 at 08:38
To: cp2k <cp2k at googlegroups.com>
Subject: [CP2K:17833] error in QM/MM simulation output
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<mailto: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<https://groups.google.com/d/msgid/cp2k/e6a251f9-069d-4262-a2bf-3dc154a0cb23n%40googlegroups.com?utm_medium=email&utm_source=footer>.

-- 
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/ZRAP278MB0827E34C551036173953CEE6F4239%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221011/e24e834d/attachment-0001.htm>