[CP2K-user] [CP2K:16238] something wrong with the section_ROOT

Fabian Ducry fabianducry at gmail.com
Tue Nov 16 15:08:08 UTC 2021


Maybe have a look here: 
https://askubuntu.com/questions/74485/how-to-display-hidden-characters-in-vim

On 16.11.2021 15:51, 'joey zhang' via cp2k wrote:
> Thanks to your help. The input files have been upload in the previous 
> answers three days before, or  could you tell me how to find these 
> special characters?
>
> 在2021年11月16日星期二 UTC+8 上午1:29:45<fabia... at gmail.com> 写道:
>
>     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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>>
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