[CP2K-user] [CP2K:12031] errors when calculate the electron density data with cp2k

[Akshay Malik]

Please change the project name as it is attempting to re-open the existing
file <PropOx-pos-1.xyz> with the modified ACTION attribute WRITE. The
current ACTION attribute is READ.
Try this,
&GLOBAL
  PROJECT PropOx-1
  RUN_TYPE MD
  PRINT_LEVEL LOW
  FFTW_PLAN_TYPE EXHAUSTIVE
&END GLOBAL

On Sat, Aug 3, 2019 at 2:36 PM 董济超 <dj... at outlook.com> wrote:

> Dear all,
>
> When I finished AIMD simulations, I want to calculate the electron density
> data from the md trajectory.
>
> However, there is an error appears as follows in the "log" file:
>
> ********************************************
>
>  *** ERROR in open_file (MODULE cp_files) ***
>  ********************************************
>
>
>  *** Attempt to re-open the existing file <PropOx-pos-1.xyz> with the
>  ***
>  *** modified ACTION attribute WRITE. The current ACTION attribute is
> READ. ***
>
>
>   *** Program stopped at line number 396 of MODULE cp_files ***
>
>   ===== Routine Calling Stack =====
>
>             5 write_trajectory
>             4 md_write_output
>             3 md_output
>             2 qs_mol_dyn_low
>             1 CP2K
>
>
>
>
>
>
>
> Could anyone know how to fix this problem?
> If you know how,please show me. It would be very helpful and thank you
> very much!
>
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