[CP2K-user] [CP2K:19440] GW Band strucure calcul Help me please to understand this errer message and how to solve it

'Ahmed bowba Sidi' via cp2k cp2k at googlegroups.com
Fri Oct 27 13:39:10 UTC 2023


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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