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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