[CP2K-user] Error in convergence for cp2k 6.1.0

Rajdeep Paul rajdeep.... at gmail.com
Tue Mar 12 11:36:39 UTC 2019

I was using cp2k 6.1.0 for energy calculation for different broken symmetry 
of a molecule. Abruptly the application takes a long time for calculating 
an OT and after few long OT the application terminates. This issue is 
neither affected by a specific node in the cluster nor by the memory 
allotted during the job. I checked the input file and there is no issue. 
For the same input file the job can also terminate normally and also 
sometimes it is terminating like in the screenshot. There is nothing 
printed in the error file also. If anyone can assist me in this issue it 
will be a great help for me.
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