[CP2K-user] Unknown subsection GLOBAL of section ROOT

fa...@gmail.com fabia... at gmail.com
Tue Feb 23 15:51:09 UTC 2021


There are lots of possible causes of such an error, e.g. missing files. 
Check the output, cp2k typically tells you what the problem is. If I run 
your input I get:
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
and in the output:
Coordinate file <PtetterEM.xyz> not found.

Cheers,
Fabian
On Tuesday, 23 February 2021 at 16:18:43 UTC+1 jo... at gmail.com wrote:

> Thank you! 
>
> I coouldn't see this in the editor. 
>
> However, now I get MPI aborted at rank 0, with errorcode 1. The new inp is 
> below:) 
>
>
>
>
>
> Le mardi 23 février 2021 à 15:34:30 UTC+1, fa... at gmail.com a écrit :
>
>> Dear Jonathan,
>>
>> You have a special character in the &GLOBAL string. Opening the file in 
>> vim shows: &<feff>GLOBAL
>> If you remove the character <feff> will get rid of the error message.
>>
>> Cheers,
>> Fabian
>>
>> On Tuesday, 23 February 2021 at 15:22:55 UTC+1 jo... at gmail.com wrote:
>>
>>>
>>> Why do I get this fir this script?:) 
>>>
>>>
>>> Br, 
>>> Jonathan 
>>>
>>
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