Related to "failed opening basis file "

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Thirumoorthy Krishnan

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Oct 16, 2021, 1:48:04 AM10/16/21
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Hi,

I am a new user of NWChem.
I was trying to run the "task scf energy" calculation but it shows the following error.
-----------------------------------------------------------------------------------------------------
warning:::::::::::::: from_compile
  NWCHEM_BASIS_LIBRARY is: </home/om/.nwchm_lnk/src/basis/libraries/>
  but file does not exist or you do not have access to it !

 Summary of "ao basis" -> "" (spherical)
 ------------------------------------------------------------------------------
       Tag                 Description            Shells   Functions and Types
 ---------------- ------------------------------  ------  ---------------------
 *                           6-31g                    on all atoms

 Attempting to read a basis set from a  non-existing file:
 /home/om/.nwchm_lnk/src/basis/libraries/6-31g                                                                                                                                                                                                                
 ------------------------------------------------------------------------
 bas_tag_lib: failed opening basis file                   0
 ------------------------------------------------------------------------
-----------------------------------------------------------------------------------------------------------------------------------

Pls find the attached output file for further details.

Thanks for your support.
with regards,
Thiru
output.96666.nwchem-test

Edoardo Aprà

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Oct 19, 2021, 6:31:29 PM10/19/21
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What is the output the commands

ls -l /home/om/.nwchm_lnk

ls -l /home/om/.nwchm_lnk/src/basis/libraries/
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