Running CDFT Tutorial Calculation on Cluster

[Brian Day]

Hi all,

I am trying to run the following CDFT tutorial 
(https://www.cp2k.org/howto:cdft) for water dimers on my university's 
cluster and am getting an error I do not understand. For clarity, the issue 
is not with submitting the file, but with CP2K itself. I have also 
successfully completed the tutorial locally, which is another reason I am 
confused by the error.

My process for running this on the cluster was as follows:
     -Duplicate the energy.bash script and modify it to generate a series 
of input files (one for each cp2k run)
     -Modify the slurm file to submit each input file individually (i.e. 
Rather than running them with a single bash script as when running locally, 
I wanted to run each input with its own submission to the cluster)

I have attached the relevant files.

I am able to run the first calculation (energy_run_standard.inp) 
successfully, but when I try to run the second one 
(energy_run_cte_noadj.inp) I get the following error:

 Possible matches for unknown keyword


 MAX_LS


   keyword MAX_LS in section 
%__ROOT__%FORCE_EVAL%DFT%SCF%OUTER_SCF%CDFT_OPT score:  44

   keyword MAX_LS in section 
%__ROOT__%FORCE_EVAL%DFT%QS%CDFT%OUTER_SCF%CDFT_OPT score:  44

   keyword MAX_LS in section 
%__ROOT__%FORCE_EVAL%DFT%XAS%SCF%OUTER_SCF%CDFT_OPT score:  44

   keyword MAX_SCF in section %__ROOT__%FORCE_EVAL%DFT%SCF%OUTER_SCF score:  
13

   keyword MAX_SCF in section %__ROOT__%FORCE_EVAL%DFT%QS%CDFT%OUTER_SCF 
score:  13


 
*******************************************************************************

 *   ___                                                                   
    *

 *  /   \                                                                  
    *

 * [ABORT]                                                                 
    *

 *  \___/          found an unknown keyword MAX_LS in section OUTER_SCF    
    *

 *    |                                                                    
    *

 *  O/|                                                                    
    *

 * /| |                                                                    
    *

 * / \                                               input/input_parsing.F:246 
*

 
*******************************************************************************



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


            7 section_vals_parse

            6 section_vals_parse

            5 section_vals_parse

            4 section_vals_parse

            3 section_vals_parse

            2 section_vals_parse

            1 read_input

application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0

I checked my input files, and MAX_LS is never called in either of those 
sections.

Any help in understanding this would be greatly appreciated!

Regards,
     Brian
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