requested atomic potential was not found

[Megha Anand]

I am not sure if this is going to be useful. I have run into similar 
problems in the beginning. Open the POTENTIAL file and search for C to see 
if it really exists. In my case I either was giving the path for the wrong 
POTENTIAL file or there was no entry for the requested atom in the file. 

On Thursday, October 13, 2016 at 2:12:47 PM UTC-4, Alex wrote:
>
> Hi all,
>
> I'm trying to do a quick run of the B3LYP example from 
> https://github.com/misteliy/cp2k/blob/master/tests/QS/regtest-hybrid/CH3-hybrid-b3lyp-lsd-g03.inp
> My input is identical, except that I am giving the paths to the potential 
> and basis set files as absolute paths to its location on our cluster: 
>
> BASIS_SET_FILE_NAME /usr/share/cp2k/EMSL_BASIS_SETS
>
> POTENTIAL_FILE_NAME /usr/share/cp2k/POTENTIAL
>
>
> The error I get is this:
>
>
>  *********************************************************************
>
>  *** ERROR in read_all_potential (MODULE external_potential_types) ***
>
>  *********************************************************************
>
>
>  *** The requested atomic potential <ALL> for element <C> was not found in 
> ***
>
>  *** the potential file <../../cp2k_share/POTENTIAL>                       
> ***
>
>
>  *** Program stopped at line number 1289 of MODULE 
> external_potential_types ***
>
> I tried copying that directory into a local one, and then adjusting the 
> paths: same error.
>
> Any suggestions?
>
> Thank you,
>
> Alex
>
>
>
>
>
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