[CP2K-user] [CP2K:16232] something wrong with the section_ROOT

[Fabian Ducry]

Hi,

I suspect that you still have some special characters in your input 
file(s). But you have to provide those files to check...

Cheers

On 13.11.2021 01:45, 'joey zhang' via cp2k wrote:
> Thanks for your suggestions. however, a new problem 
> emerges:problem.png I haver looked for information about this problem 
> in forum. They attribute this problem to the weird kind  in my input 
> file, but i have checked my input file for many times, but i can't 
> find anyting wrong. All the input file are listed above. Could you 
> give me some help?
>
> 在2021年11月12日星期五 UTC+8 下午11:22:01<fabia... at gmail.com> 写道：
>
>     Hi Joey,
>
>     You have special characters in your files which cp2k cannot handle:
>
>     tabs (\t) in cp2k.inc and carriage return (\r) in cp2k.inp
>
>     if you are on linux you can do the following:
>
>     sed -i.bak 's/\r//g;s/\t/ /g' cp2k.inp cp2k.inc
>
>     which will remove these characters or convert them to spaces. This
>     should solve your issue.
>
>     Cheers,
>
>     Fabian
>
>     On 12.11.2021 15:57, 'joey zhang' via cp2k wrote:
>>     Thanks for your help, here is my input file
>>     在2021年11月12日星期五 UTC+8 下午5:07:09<Matthias Krack> 写道：
>>
>>         Hi Joey
>>
>>         Please, provide the full CP2K input file. Otherwise, one can
>>         only guess what the problem is.
>>
>>         Matthias
>>
>>         *Von:*'joey zhang' via cp2k <cp... at googlegroups.com>
>>         *Gesendet:* Freitag, 12. November 2021 09:28
>>         *An:* cp2k <cp... at googlegroups.com>
>>         *Betreff:* [CP2K:16216] something wrong with the section_ROOT
>>
>>         Hi, all
>>
>>           i am new to cp2k, please  forgive me for my questions may
>>         be a trival.
>>
>>         when i submit the AIMD task on the server, it died
>>         immediately. The cp2k.out presents that  "found an unknown
>>         keyword N in section_ROOT_". I guess it might be something
>>         wrong with the pseupotential or basis-set of element N. But i
>>         did't find anything wrong.  And i also search the
>>         section_ROOT in the manual, i found no results. Have you ever
>>         met such problem?
>>
>>         section_ROOT.png
>>
>>         pseupotential.png
>>
>>
>>         best wishes
>>
>>         joey
>>
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