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Re: [abinit-forum] Problem with KSS files


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  • From: Matteo Giantomassi <gmatteo@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Problem with KSS files
  • Date: Tue, 04 Sep 2007 18:24:26 +0200 (MEST)

Quoting Xavier Gonze <gonze@pcpm.ucl.ac.be>:

>
> On 04 Sep 2007, at 17:52, Fabien Bruneval wrote:
>
> > Hat trick! Three identical answers within 10 minutes! It seems that
>
> > the GW team is perfectly self-consistent.
> >
> > Fabien
>
> Yes !
> But this also points to something that should be done ... when
> somebody has the time :
> to test the available memory in view of known GW memory demands, as
> done for the Ground State and RF
> calculations ...
>

Dear all,

The amount of memory required by the outkss routine
in case of diagonalization is estimated in memkss.F90.
One can have an idea of the memory allocate by just looking for
the following line in the log file :

Additional amount of memory required by "outkss" ....

We should write something similar also in screning and sigma.

Concerning the mkmem=0 option, it seems it's implemented in outkss
but I've never used this possibility.

Regards,
Matteo Giantomassi

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