[CP2K-user] [CP2K:17520] UZH potentials and basis - CPASSERT failed

[mdsimula...@gmail.com]

Hi Matthias,

I've also tried version 8.1 and had the same error.  Do you know which 
version would have the fix?

Thanks,
Frank

On Saturday, August 20, 2022 at 5:16:22 PM UTC-4 Matthias Krack wrote:

> Hi Frank
>
>  
>
> It is possible that this error is caused by a bug 
> <https://github.com/cp2k/cp2k/commit/e0901beed29adda72cbf38980a9f07c76e87032d> 
> in the CP2K version 7.1 which you are using. That bug has been fixed in 
> newer CP2K versions.
>
>  
>
> Best
>
>  
>
> Matthias
>
>  
>
> *Von:* cp... at googlegroups.com <cp... at googlegroups.com> *Im Auftrag von *
> mdsimula... at gmail.com
> *Gesendet:* Samstag, 20. August 2022 18:16
> *An:* cp2k <cp... at googlegroups.com>
> *Betreff:* [CP2K:17518] UZH potentials and basis - CPASSERT failed
>
>  
>
> Hi 
>
>  
>
> I'm trying to use the BASIS_MOLOPT_UZH and POTENTIAL_UZH for a CuO system.
>
>  
>
> My inputs and outputs are attached.
>
>  
>
> I am getting a CPASSERT failed error in "atom_utils.F:2198".
>
>  
>
> Any ideas on what's going on and a possible fix?
>
>  
>
> Thanks,
>
> Frank
>
> -- 
> 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+uns... at googlegroups.com.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/480df1cb-5736-4fcc-83fd-91294313e098n%40googlegroups.com 
> <https://groups.google.com/d/msgid/cp2k/480df1cb-5736-4fcc-83fd-91294313e098n%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/cfbeb3f5-f720-4193-bc84-c7eb98f59671n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220820/125b6a1c/attachment-0001.htm>