[Pw_forum] problem during pw4gww.x calculations

[Paolo Giannozzi]

Code version?

On Tue, May 16, 2017 at 4:02 PM, Mortaza Aghtar <meisam.a63 at gmail.com> wrote:
>
> Dear All,
>
> I want to run GW calculations for boron-nitride sheet. First I ran a scf
> calculation
> for only the gamma point. Then I ran pw4gww.x to get the wannier's matrices.
> But
> after some steps I get this error in the log file:
>
> ----
> forrtl: severe (151): allocatable array is already allocated
> Image              PC                Routine            Line        Source
> pw4gww.x           0000000000A998FB  Unknown               Unknown  Unknown
> pw4gww.x           000000000048011D  matrix_wannier_ga         274
> matrix_wannier_gamma.f90
> pw4gww.x           000000000042B848  go_wannier_               104
> wannier.f90
> pw4gww.x           0000000000412A02  produce_wannier_g         216
> produce_wannier_gamma.f90
> pw4gww.x           000000000040D707  MAIN__                    494
> pw4gww.f90
> pw4gww.x           000000000040C7DE  Unknown               Unknown  Unknown
> libc.so.6          00007F0EB0E1DB35  Unknown               Unknown  Unknown
> pw4gww.x           000000000040C6E9  Unknown               Unknown  Unknown
> -----
>
> All the calculations are in parallel for the wave functions.
>
> Thank you in advance.
>
> Regards,
> Mortaza
>
>
> Dr Mortaza Aghtar
> Postdoctoral research fellow
> Ulm University,
> Germany
>
>
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222