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Re: [abinit-forum] GW calulation with parallelised abinit 5.4.3


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  • From: ธนูสิทธิ์ บุรินทร์ประโคน <thanusit@kku.ac.th>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] GW calulation with parallelised abinit 5.4.3
  • Date: Sun, 14 Oct 2007 11:59:14 +0700 (ICT)

Dear Matteo

We've tried to comment the line number 1236 of the subroutine
screening.F90 but cannot get it compiled. Could you please give me a
litlle bit more details (code) of the line that needs commenting? I
wonder if the line number of this piece of the subroutine has been
alterred. Thank you.

Best regards
Thanusit Burinprakhon


> On October 10, 2007 6:01:57 PM ICT, "Matteo Giantomassi"
<gmatteo@pcpm.ucl.ac.be> wrote:
>
>
> > I have tried GW calculation with the same input file (with or without
> > mkmem=0) using paralleised Abinit V5.4.3, and without commenting the
> > line number 1236 of the subroutine csigme.F90.
>
> Well, I hope you've commented screening.F90 instead of csigme.F90.
> Also because in csigme.F90 the line 1236 doesn't exist!
>
> >The jobs have been
> > succesfully completed. This seems OK to me. Is it still better to
> > comment the line, though?
>
> If you want to run a screening calculation (optdriver=3) with
> version 5.4.3, you have to comment that line.
>
> BTW: the mkmem=0 option is not yet implemented when optdriver=4.
> You might try the parallelism over bands (i.e gwpara=2), if you really
need
> to decrease the memory per processor,
>
> Regards,
> Matteo Giantomassi
>
>



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