[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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