[CP2K-user] CPASSERT failed

qx c cqx19... at gmail.com
Thu Apr 29 12:58:27 UTC 2021


Dear community users:
I just compiled the cp2k.popt and cp2k.pmpt programs. I tested both of them 
and the popt version worked fine, but the pmpt version can not complete 
even 1 task of the test file. I ran the *cp2k.psmp MoS.inp* command and 
those are the error messages:
 *******************************************************************************
 *   ___                                                                    
   *
 *  /   \                                                                  
    *
 * [ABORT]                                                                  
   *
 *  \___/                             CPASSERT failed                      
    *
 *    |                                                                    
    *
 *  O/|                                                                    
    *
 * /| |                                                                    
    *
 * / \                                        
 input/input_section_types.F:525 *
 *******************************************************************************

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

            1 create_cp2k_root_section
--------------------------------------------------------------------------
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.
--------------------------------------------------------------------------
I want to know how did this happen and what should I do to avoid those 
messages.
Thanks very much
Chen-Qingxi
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