[CP2K-user] [CP2K:11436] How should I solve "CPASSERT failed" problem?

[Tiziano Müller]

Hi Tianshu,

please always post the input file as well, even if you did take it from 
an exercise.

Based on the line of the CPABORT I'd guess that you didn't do all the 
modifications required in the exercise. Specifically, the following one:

         ! Task: insert METHOD keyword to use gaussian and augmented 
plane wave method
       !METHOD GAPW

here you need to uncomment the METHOD line. XAS calculations require GAPW.

Best regards,
Tiziano

On 20.03.19 08:14, Tianshu Jiang in Beijing wrote:
> Hi, developers and users in this group,
> I followed the tutorial GAPW_XAS calculation 
> <https://www.cp2k.org/exercises:2017_uzh_cp2k-tutorial:gapw?s[]=electric&s[]=dipole> and 
> run with cp2k 4.1.
> The missing part (basis set and potential) in this example has 
> been replenished. But output file tells that CPASSERT failed.
> Where maybe the problem?
> Thanks for your reply !
> 
> 屏幕快照 2019-03-20 下午3.07.47.png
> 
> 
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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
tiziano... at chem.uzh.ch