[CP2K-user] [CP2K:17769] CPASSERT Error in GEO OPT

Colin Farrington cmf261 at scarletmail.rutgers.edu
Wed Sep 28 13:05:59 UTC 2022


Hey all,

I keep getting this error when trying to do a simple GEO_OPT for a periodic 
unit cell. 

 *******************************************************************************

 *   ___                                                                   
    *

 *  /   \                                                                  
    *

 * [ABORT]                                                                 
    *

 *  \___/                             CPASSERT failed                      
    *

 *    |                                                                    
    *

 *  O/|                                                                    
    *

 * /| |                                                                    
    *

 * / \                                                      
topology_cif.F:240 *

 *******************************************************************************



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


            5 read_coordinate_cif

            4 coordinate_control_READ_COORDINATE

            3 coordinate_control

            2 topology_control

            1 CP2K

Attached is my input file and cif file. Thanks for any help


-Colin

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