[CP2K-user] unknown subsection NONPERIODIC_SYS of section RESP

Abhijit Gogoi gogoiab... at gmail.com
Mon Nov 23 17:19:10 UTC 2020


Dear All,
                         I am a very beginner of the CP2K software. I am
trying to learn it step by step starting from the tutorial provided in the
following link

https://www.cp2k.org/exercises:2014_uzh_molsim:h2o_ff

While executing the second part of this tutorial, I am encountering the
following error

Possible matches for unknown subsection

 NONPERIODIC_SYS

   keyword NDIIS in section %__ROOT__%MOTION%BAND%OPTIMIZE_BAND%DIIS score:
 2
   keyword NO_LS in section %__ROOT__%MOTION%BAND%OPTIMIZE_BAND%DIIS score:
 2
   keyword NDIIS in section %__ROOT__%FORCE_EVAL%DFT%SCF%OT score:  2
   keyword NDIIS in section %__ROOT__%FORCE_EVAL%DFT%SCF%DIAGONALIZATION%OT
score:  2
   keyword NDIIS in section %__ROOT__%FORCE_EVAL%DFT%XAS%SCF%OT score:  2

 *******************************************************************************
 *   ___
    *
 *  /   \
   *
 * [ABORT]
    *
 *  \___/           unknown subsection NONPERIODIC_SYS of section RESP
    *
 *    |
   *
 *  O/|
   *
 * /| |
   *
 * / \
input/input_parsing.F:200 *
 *******************************************************************************


 ===== Routine Calling Stack =====

            5 section_vals_parse
            4 section_vals_parse
            3 section_vals_parse
            2 section_vals_parse
            1 read_input



I am attaching the input file and also the output file to this mail.

   1. resp.in and run-1H2O-RESP-RESTART.wfn are the input files.
   2. job.4851.out is the file where the error message is printed.

Could you please help me out with this?

Sincerely
Abhijit Gogoi
Indian Institute of Technology Guwahati
Assam, India
781039
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