CPASSERT error with reftraj

Rahul verma rv01... at gmail.com
Wed May 23 12:25:41 UTC 2018


Dear Users,

I am trying  to use REFTRAJ on a simulated trajectory of water  obtained 
from classical simulation. I want to get the wannier centers for my 
classically simulated system. When I tried running the input file using 
CP2K I am getting the error :



*******************************************************************************
 *   
___                                                                       *
 *  /   
\                                                                      *
 * 
[ABORT]                                                                     
*
 *  \___/                             CPASSERT 
failed                          *
 *    
|                                                                        *
 *  
O/|                                                                        *
 * /| 
|                                                                        *
 * / \                                                
motion/integrator.F:1546 *
 *******************************************************************************

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

            3 velocity_verlet
            2 qs_mol_dyn_low
         1 CP2K

The input file is also attached with the mail. 

Thanking You,
Rahul Verma,
Amity University Lucknow 
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