[CP2K-user] [CP2K:12618] CPASSERT Failed

Tiziano Müller tiziano... at chem.uzh.ch
Wed Dec 11 08:11:59 UTC 2019

Hi Dev,

my guess is that OPTIMIZE_FILE_NAME should point to an actual force 
calculation input file rather than the parameter optimization 
configuration again.

Best regards,

On 10.12.19 17:21, Dev Rana wrote:
> Hello,
> I keep running into this CPASSERT Failed error in almost every CP2K run 
> that I conduct. Could someone help me understand what this error 
> actually means?
> Here's my latest input/output files as a reference in relation to the 
> https://www.cp2k.org/exercises:2014_uzh_molsim:h2o_ff tutorial for 
> constructing a force field for an H2O molecule. Each of the worker files 
> has a CPASSERT failure. This consistently has happened when running all 
> of the example code in this tutorial. Any help would be appreciated!
> Best Regards,
> Dev
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Tiziano Müller
University of Zurich
Department of Chemistry
Winterthurerstrasse 190
CH-8057 Zürich

Tel: +41 44 63 54234
tiziano... at chem.uzh.ch

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