The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Hi,

First, Yes this mailing list is appropriate for any type of comment,
questions, remarks ... Yet, there is also a developer@abinit.org
mailing list.
It is very nice from you to come with this bug report + solution.
Thank you very much. We would be very interesting in having an input
file enabling us to reproduce this bug. This way it may become an
automatic test and prevent the bug from popping up anytime in the
future. It would also help us confirm the bug (although your code
analysis looks very clear).

best regards
PMA

On 3/26/07, Masao ARAI <ARAI.Masao@nims.go.jp> wrote:
> Dear all,
>
> When I tested abinit-5.3.3 on Hitachi SR-11000, I got following error from
> abinip.
>
> KCHF503R allocatable array is already allocated.
> 0x0000000100008194 _hf_err+0x554
> 0x00000001000998bc _hf_alloc+0x2ac
> 0x0000000100454c54 fresid+0x854
>
> This message indicates that some arrays are allocated multiple times.
> I checked "15common/fresid.F90".
>
> At line 241, two arrays "rhor" and "work" are allocated.
>
> allocate(rhor(nfftot,dtset%nspden),work(nfftot,dtset%nspden))
>
> These arrays are deallocated at line 679 only when
> (mpi_enreg%mode_para=='b').
>
> +677 if(mpi_enreg%mode_para=='b') then
> +678 call
> pre_scatter(work_slice,work,ngfft(1),ngfft(2),ngfft(3),mpi_enreg,'scatter')
> +679 deallocate(rhor,work)
> +680 else
> +681 work_slice(:,:)=work(:,:)
> +682 end if
>
> So, if (mpi_enreg%mode_para != 'b"), the fresid will try to allocate the
> same arrays each time
> it is called.
>
> If the deallocate is moved after if-endif block,
>
> if(mpi_enreg%mode_para=='b') then
> call
> pre_scatter(work_slice,work,ngfft(1),ngfft(2),ngfft(3),mpi_enreg,'scatter')
> else
> work_slice(:,:)=work(:,:)
> end if
> deallocate(rhor,work)
>
> the abinip seems to work fine.
>
> Best regards,
> Masao Arai
>
> P.S.
> Is this ML appropriate for sending these reports? Or, should I send to
> developer ML?
>
> --
> Masao Arai
> CMSC, NIMS, JAPAN


--
Pierre-Matthieu Anglade