GTH_BASIS_SETS CANNOT BE OPENED

Dj MG ghada... at gmail.com
Sat Jul 16 07:52:55 UTC 2016


GENERATE|  Preliminary Number of Bonds 
generated:                             0
 GENERATE|  Achieved consistency in connectivity generation.
 CHARGE_INFO| Total Charge of the Classical System:                     
1.515000

 FORCEFIELD| WARNING: A non Critical ForceField parameter is missing! CP2K 
GOES!
 FORCEFIELD| Non critical parameters are:Urey-Bradley,Torsions,Impropers, 
Opbends and 1-4
 FORCEFIELD| All missing parameters will not contribute to the potential 
energy!
 FORCEFIELD| Activate the print key FF_INFO to have a list of missing 
parameters


 SPLINE_INFO| Generating 3 splines for NONBONDED14 interactions 
              Due to 2 different atomic kinds
  ...1  ...2  ...3
 SPLINE_INFO| Number of unique splines computed:            1
 SPLINE_INFO| Done

 SPLINE_INFO| Generating 3 splines for NONBONDED interactions 
              Due to 2 different atomic kinds
  ...1  ...2  ...3
 SPLINE_INFO| Number of unique splines computed:            1
 SPLINE_INFO| Done


 ********************************************
 *** ERROR in open_file (MODULE cp_files) ***
 ********************************************

 *** The specified OLD file <GTH_BASIS_SETS                 > cannot be 
opened. It ***
 *** does not exist.                                                   ***

 *** Program stopped at line number 399 of MODULE cp_files ***

 ===== Routine Calling Stack ===== 

            5 read_qs_kind
            4 create_qs_kind_set
            3 quickstep_create_force_env
            2 qmmm_create_force_env_low
            1 CP2K
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