[CP2K-user] [CP2K:18876] Error CPASSERT failed

[李亜飛]

----------------------------------------------------------------------
 COLVARS| COLVAR INPUT INDEX:        1
 COLVARS| ANGLE          >>> ATOMS:                            2       1   
    3
          
----------------------------------------------------------------------

 *******************************************************************************
 *   ___                                                                   
    *
 *  /   \                                                                   
   *
 * [ABORT]                                                                 
    *
 *  \___/                             CPASSERT failed                       
   *
 *    |                                                                     
   *
 *  O/|                                                                     
   *
 * /| |                                                                     
   *
 * / \                                                   
 topology_input.F:491 *
 *******************************************************************************


 ===== Routine Calling Stack ===== 

            2 topology_control
            1 CP2K

Dear CP2K Developers
I want to optimize the structure of the molecule with a fixed angle, but 
the above error occurs, how should I deal with it.
Below is my input file, I have not encountered this error when calculating 
other molecules in the past.

&GLOBAL
  PROJECT TEA-angle
  PRINT_LEVEL LOW
  RUN_TYPE GEO_OPT
&END GLOBAL

&FORCE_EVAL
  METHOD Quickstep
  &SUBSYS
    &TOPOLOGY
      &CENTER_COORDINATES 
      &END CENTER_COORDINATES
    &END TOPOLOGY
    &CELL
      A    12.69795635     0.00000000     0.00000000
      B     0.00000000    12.69795635     0.00000000
      C     0.00000000     0.00000000    12.69795635
      PERIODIC NONE #Direction(s) of applied PBC (geometry aspect)
    &END CELL
    &COORD
      Al          6.25844178    6.24123337    6.25390079
      C           4.71535929    6.61449712    7.41318518
      C           4.31919852    5.54489495    8.45350184
      C           7.44733104    4.71955677    6.62556539
      C           8.51982521    4.38440723    5.56581823
      C           6.65611544    7.44915814    4.75480001
      C           5.58792104    8.50291950    4.38887394
      H           4.92828778    7.56155266    7.92277247
      H           3.85872637    6.85123825    6.77474490
      H           5.14403471    5.31196156    9.12896976
      H           4.03199595    4.60604273    7.97825945
      H           3.47691363    5.85937040    9.07350277
      H           7.93291930    4.92215457    7.58704208
      H           6.83117297    3.83805383    6.82663728
      H           9.15766026    3.55096328    5.86824032
      H           9.17486999    5.23427128    5.36891923
      H           8.07064596    4.11064966    4.60994187
      H           6.89759443    6.84111031    3.87822574
      H           7.60125404    7.95201132    4.99087114
      H           4.65468622    8.03569671    4.07159530
      H           5.90946558    9.15671042    3.57527899
      H           5.34240789    9.14354444    5.23683715
    &END COORD
    &COLVAR                            
      &ANGLE                        
       ATOMS 2 1 3                   
      &END ANGLE
    &END COLVAR

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