[CP2K-user] [CP2K:16335] CPASSERT failed

Gibu George gibugeor at gmail.com
Fri Dec 3 14:13:24 UTC 2021


Hello, 

I am very new to cp2k and I just tried to run single point calculation with 
just 2 atoms of Si and I received this error. I don't have any idea what 
this error means. Can anyone please help me:


*******************************************************************************
 *   ___                                                                    
   *
 *  /   \                                                                  
    *
 * [ABORT]                                                                  
   *
 *  \___/                             CPASSERT failed                      
    *
 *    |                                                                    
    *
 *  O/|                                                                    
    *
 * /| |                                                                    
    *
 * / \                                                  
cp_ddapc_methods.F:882 *
 *******************************************************************************


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

            6 cp_ddapc_create
            5 cp_ddapc_init
            4 qs_env_update_s_mstruct
            3 qs_energies_init_hamiltonians
            2 qs_energies
            1 CP2K

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