Error when I used the Gaussian functional
Feng Lai
laifeng... at gmail.com
Mon Nov 9 03:10:34 UTC 2015
Dear CP2K developers and users,
I am trying to run MD simulation in NVT ensemble with Gaussian function.
After SCF convergence. however, the program reported the error as following.
**********************************************************************
**********************************************************************
*** 17:00:04 ERRORL3 in thermostat_utils:communication_thermo_low1 ***
*** processor 0 :: err=-300 condition FAILED at line 2076 ***
**********************************************************************
**********************************************************************
===== Routine Calling Stack =====
2 qs_mol_dyn_low
1 CP2K
Do it say that I lost some keywords related to THERMOSTAT? the attached
input file and output file follows.
Thanks a lot.
Laifeng
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