requested atomic potential was not found

[Alex]

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




-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161013/c0ad80d7/attachment.htm>