Error in a Metadynamics run
Travis
polla... at gmail.com
Mon Jul 30 17:12:43 UTC 2018
Delete the atom names in your velocity section.
On Monday, July 30, 2018 at 12:47:20 PM UTC-4, Raghav wrote:
>
> Dear cp2k users,
>
> I don't know whats wrong with my input file. It
> looks OK to me but is showing the following error -
>
> *******************************************************************************
> *
> ___ *
> * /
> \ *
> *
> [ABORT]
> *
> * \___/ A floating point type object was expected, found <O>,
> File: *
> * | 'ATP.inp', Line: 99, Column: , Chunk:
> <O> *
> *
> O/| *
> * /|
> | *
> * / \
> input/cp_parser_methods.F:1194 *
>
> *******************************************************************************
>
>
> ===== Routine Calling Stack =====
>
> 6 val_create_parsing
> 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
>
> Does anyone Know whats wrong in my input file??Input file is attached. I
> shall be grateful for the help.
>
> Regards
> Raghav
>
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