[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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