[CP2K-user] 7.1 don't work with mpi error

brhr iwao.... at gmail.com
Sat Feb 22 02:35:37 UTC 2020



> Dear cp2k developers
>
 

> The previous described error was apparently solved after a bit source 
> alternation:
>
 

> src/sirius_interface.F line 88-90
>   SUBROUTINE cp_sirius_init()
> -      CALL sirius_initialize(bool(.FALSE.))
> +      CALL sirius_initialize(bool(.TRUE.))
>    END SUBROUTINE cp_sirius_init
>
 

> Could anyone comment whether other settings (e.g. 
> sirius_finalize(bool(.FALSE.), bool(.FALSE.), bool(.FALSE.)))
> should be kept as they are or not?
>
 

> Best Regards
>

    Aoyama Iwao 
 
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