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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