Calculating the BSSE

[Geng Sun]

Hello everyone,

    I have a question about setting the BSSE calculation.

    I have an system term cotain six parts A,B,C,D,E,F
    I have set the BSSE calculations like below and I am trying to 
calculate the energy of these six parts using all the basis.
   But, It seems that, CP2K are trying to calculate all the 2-body, 3-body 
energies,
     9   &BSSE
 10    &FRAGMENT
 11      LIST 1..12
 12    &END FRAGMENT
 13    &FRAGMENT
 14      LIST 13..24
 15    &END FRAGMENT
 16    &FRAGMENT
 17      LIST 25..36
 18    &END FRAGMENT
 19    &FRAGMENT
 20      LIST 37..78
 21    &END FRAGMENT
 22    &FRAGMENT
 23      LIST 79..120
 24    &END FRAGMENT
 25    &FRAGMENT
 26      LIST 121..162
 27    &END FRAGMENT
 28    &CONFIGURATION
 29      GLB_CONF 1 1 1 1 1 1
 30      SUB_CONF 1 0 0 0 0 0
 31    &END CONFIGURATION
 32    &CONFIGURATION
 33      GLB_CONF 1 1 1 1 1 1
 34      SUB_CONF 0 1 0 0 0 0
 35    &END CONFIGURATION
 36    &CONFIGURATION
 37      GLB_CONF 1 1 1 1 1 1
 38      SUB_CONF 0 0 1 0 0 0
 39    &END CONFIGURATION
 40    &CONFIGURATION
 41      GLB_CONF 1 1 1 1 1 1
 42      SUB_CONF 0 0 0 1 0 0
 43    &END CONFIGURATION
 44    &CONFIGURATION
 45      GLB_CONF 1 1 1 1 1 1
 46      SUB_CONF 0 0 0 0 1 0
 47    &END CONFIGURATION
 48    &CONFIGURATION
 49      GLB_CONF 1 1 1 1 1 1
 50      SUB_CONF 0 0 0 0 0 1
 51    &END CONFIGURATION
 52   &END BSSE   


   The calculations are still running on, and

   the calculated configurations includes:

   It seems that the configuration sections what I have written in the 
input is not working ?

  Why it behaves like this ?

   -  BSSE CALCULATION         FRAGMENT CONF: 100000    FRAGMENT SUBCONF: 
100000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 010000    FRAGMENT SUBCONF: 
010000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 001000    FRAGMENT SUBCONF: 
001000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 000100    FRAGMENT SUBCONF: 
000100 -
 -  BSSE CALCULATION         FRAGMENT CONF: 000010    FRAGMENT SUBCONF: 
000010 -
 -  BSSE CALCULATION         FRAGMENT CONF: 000001    FRAGMENT SUBCONF: 
000001 -
 -  BSSE CALCULATION         FRAGMENT CONF: 110000    FRAGMENT SUBCONF: 
100000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 110000    FRAGMENT SUBCONF: 
010000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 110000    FRAGMENT SUBCONF: 
110000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 101000    FRAGMENT SUBCONF: 
100000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 101000    FRAGMENT SUBCONF: 
001000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 101000    FRAGMENT SUBCONF: 
101000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 100100    FRAGMENT SUBCONF: 
100000 -
 -  BSSE CALCULATION         FRAGMENT CONF: 100100    FRAGMENT SUBCONF: 
000100 -
 -  BSSE CALCULATION         FRAGMENT CONF: 100100    FRAGMENT SUBCONF: 
100100 -
.......


Thanks in advance !
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