constrained MD simulation crashes. Why ?
Manuel Corral
m.corra... at gmail.com
Fri May 27 07:08:59 UTC 2016
Hi,
I have a problem with a constrained AIMD simulation. I crushes with the
below error message after the first SCF cycle.
The input file is attached.
Any ideas ?
Thanks,
Manuel
===== Routine Calling Stack =====
2 qs_mol_dyn_low
1 CP2K
**********************************************************************
**********************************************************************
*** 16:59:42 ERRORL3 in thermostat_utils:communication_thermo_low1 ***
*** processor 52 :: err=-300 condition FAILED at line 2076 ***
**********************************************************************
**********************************************************************
===== Routine Calling Stack =====
2 qs_mol_dyn_low
1 CP2K
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