[CP2K-user] [CP2K:16220] something wrong with the section_ROOT

[Fabian Ducry]

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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