[CP2K-user] [CP2K:17839] error in QM/MM simulation output

[Havva Mehralitabar]

Thank you for your kind reply

On Tue, Oct 11, 2022, 12:05 PM Krack Matthias (PSI) <matthias.krack at psi.ch>
wrote:

> 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.
> 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
> <https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827E34C551036173953CEE6F4239%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.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/CAAA6WWHkEzxEoMU7W0R-C3q2jLU9D_r1J8_Fm1HypWsAiLypUg%40mail.gmail.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221011/c0d777c3/attachment.htm>