GTH_BASIS_SETS CANNOT BE OPENED
Dj MG
ghada... at gmail.com
Mon Jul 18 13:17:39 UTC 2016
Mine cp2k is older version (2.6.1). What's the meaning of "standard
locatioan".
And how i get set my cp2k in fullpath?
I was installed cp2k in my ubuntu with "sudo-apt get install".
On Saturday, July 16, 2016 at 2:52:55 PM UTC+7, Dj MG wrote:
>
> 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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