something wrong with the section_ROOT

[joey zhang]

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?

best wishes

joey

[Krack Matthias (PSI)]

Hi Joey

 

Please, provide the full CP2K input file. Otherwise, one can only guess what the problem is.

 

Matthias

 

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[joey zhang]

Thanks for your help, here is my input file 

[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

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[joey zhang]

Thanks for your suggestions. however, a new problem emerges:  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?

[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

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[joey zhang]

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?

[Fabian Ducry]

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

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[joey zhang]

It seems to be exactly what i need. Thanks a lot.