[CP2K-user] [CP2K:16237] something wrong with the section_ROOT

'joey zhang' via cp2k cp2k at googlegroups.com
Tue Nov 16 14:51:50 UTC 2021


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:[image: 
> 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?
>>>
>>> [image: section_ROOT.png]
>>>
>>>  
>>>
>>> [image: pseupotential.png]
>>>
>>>
>>> best wishes
>>>
>>> joey
>>>
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