The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Masao Arai,

Thanks for your bug fix ! It has been incorporated in v5.3.4, soon to  
appear.

Regards,
Xavier

NB: this message would indeed fit better in the developer ML...


On 26 Mar 2007, at 05:23, Masao ARAI 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