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

[Dev Rana]

Hi Tiziano,

Do you know what file I should be placing in the OPTIMIZE_FILE_NAME? Sorry 
for such a silly question, but I'm new to CP2K and I'm trying to learn, and 
the tutorial is not the most clear instructions.

Best Regards,
Devyesh Rana

On Wednesday, December 11, 2019 at 3:12:03 AM UTC-5, Tiziano Müller wrote:
>
> 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, 
> Tiziano 
>
> 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 
> www.chem.uzh.ch 
> tiz... at chem.uzh.ch <javascript:> 
>
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