Error about input file

[冬tlyer]

Hello,

As a new users ,i try to write a input file about AIMD. But a ERROR in the output file "INPP_@SET: Variable $END not defined in file: cp2k.inp  Line:    72" . I struggle to check my imput file about this question. And NOT solved. The input file has been placed below as an attachment. if you have time, Please give me some suggestions.

thanks!

Tlyler.

[HB H]

Hi 冬,

Looks like you miss one &END for some sections. But first can you pair up the variable &END with their sections, not just a short name "&END"? That being said, for examples,  change one &END into &END FORCE_EVAL.

If it still doesn't work, you might have a typo somewhere else~

Good luck!

Haibei

 

冬tlyer <tsd19...@gmail.com> 于2020年10月5日周一 下午5:01写道：

--
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...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/cc5172ea-3f8d-48f5-8abd-da8203e5eec4n%40googlegroups.com.

[fabia...@gmail.com]

Hi,

There is a $END on line 78 instead of &END which triggers the error.

Also, EXTRAPOLATION needs ASPC instead of ASPS.

There is a nice tool called cp2klint in cp2k-input-tools which can detect such errors.

Best,

Fabian

[冬tlyer]

Dear  Petko ,  Haibei and   Fabian ,

I am so happy get your reply . 

At the same time , I am very sorry for not looking at the input file carefully .Maybe i should try cp2klint as Fabian mentioned.

thanks ！

Tlyer.