[CP2K-user] [CP2K:19442] Re: GW Band strucure calcul Help me please to understand this errer message and how to solve it

['Ahmed bowba Sidi' via cp2k]

Thank you Frederick for your helpful  replay 
How can I compile
CP2K 
Le vendredi 27 octobre 2023 à 23:05:04 UTC+1, Frederick Stein a écrit :

> Dear Ahmed,
>
> The BANDSTRUCTURE section is only available in the CP2K trunk (see
>
> https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/PROPERTIES/BANDSTRUCTURE.html 
> for the current manual and
> https://manual.cp2k.org/cp2k-2023_2-branch/index.html for the manual of 
> version 2023.2). If you want to use this section, you will have to compile 
> CP2K yourself from the master trunk.
>
> HTH
>
> Frederick 
>
> Ahmed bowba Sidi schrieb am Freitag, 27. Oktober 2023 um 15:39:10 UTC+2:
>
>> Hill 
>> please help me to solve this proble
>> Possible matches for unknown subsection 
>>
>>  BANDSTRUCTURE
>>
>>    subsection FIT_CHARGE in section %__ROOT__%FORCE_EVAL%PROPERTIES 
>> score:  100
>>    enum BAND_STRUCTURE in section %__ROOT__%FORCE_EVAL%DFT%TRANSPORT for 
>> keyword CONTACT_FILLING score:  99
>>    subsection BAND_STRUCTURE in section %__ROOT__%FORCE_EVAL%DFT%PRINT 
>> score:  99
>>    subsection LINRES in section %__ROOT__%FORCE_EVAL%PROPERTIES score:  99
>>    subsection ATOMIC in section %__ROOT__%FORCE_EVAL%PROPERTIES score:  99
>>
>>
>>  *******************************************************************************
>>  *   ___                                                                 
>>       *
>>  *  /   \                                                                 
>>      *
>>  * [ABORT]                                                               
>>       *
>>  *  \___/         unknown subsection BANDSTRUCTURE of section PROPERTIES 
>>       *
>>  *    |                                                                   
>>      *
>>  *  O/|                                                                   
>>      *
>>  * /| |                                                                   
>>      *
>>  * / \                                               
>> input/input_parsing.F:187 *
>>
>>  *******************************************************************************
>>
>>
>>  ===== Routine Calling Stack ===== 
>>
>>             4 section_vals_parse
>>             3 section_vals_parse
>>             2 section_vals_parse
>>             1 read_input
>> --------------------------------------------------------------------------
>> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
>> with errorcode 1.
>>
>> NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
>> You may or may not see output from other processes, depending on
>> exactly when Open MPI kills them.
>>
>

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