[Pw_forum] failure with npool

[Eduardo Ariel Menendez Proupin]

Dear Paolo,
I made the correction and recompiled. Regretfully, it fails with the same
error.
Commenting the tqr input  keyword it works, however much slower.

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from addusdens_r : error #         1
     expected  360.00000000, found  180.00057894: wrong charge, increase
ecutrho
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Best regards
Eduardo


> ---------- Mensaje reenviado ----------
> From: Paolo Giannozzi <giannozz at democritos.it>
> To: PWSCF Forum <pw_forum at pwscf.org>
> Date: Mon, 27 Jul 2009 18:45:53 +0200
> Subject: Re: [Pw_forum] failure with npool
> Eduardo Ariel Menendez Proupin wrote:
>   1
>
>>     from addusdens_r : error #         1
>>     expected  360.00000000, found  101.25021916: wrong charge
>>
>
> actually it looks like the charge is good: it is the test that is
> wrong! quick fix:
>
> diff -w -i -b -r1.37 PW/realus.f90
> 1472c1472
> <       USE mp_global,        ONLY : intra_pool_comm
> ---
> >       USE mp_global,        ONLY : intra_pool_comm, inter_pool_comm
> 1526a1527
> >       CALL mp_sum(  charge , inter_pool_comm )
>
> P.
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>
>
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