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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