[CP2K-user] [CP2K:17518] UZH potentials and basis - CPASSERT failed

[Krack Matthias (PSI)]

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: cp2k at googlegroups.com <cp2k at googlegroups.com> Im Auftrag von mdsimula... at gmail.com
Gesendet: Samstag, 20. August 2022 18:16
An: cp2k <cp2k 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+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/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/e6bb10f8abde44bd9982cf22160d8156%40psi.ch.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220820/8e119ece/attachment-0001.htm>