The ABINIT Users Mailing List ( CLOSED )

[Riad Shaltaf <riad.shaltaf@uclouvain.be>]

Dear Manuel,

gwapara is enough. In case of gwpara=2 dont forget to modify the number
of bands so that the number of unoccupied bands divides equally among
the processors.
The double precision is introduced in GW for debugging reasons,
it might add some more accuracy, however, the price to be paid is 
an extra memory requirement. If you think you have the enough resources
to run the calculations using double precision then
it is up to you to do so.

Riad


 

On Wed, 2008-12-17 at 15:20 +0100, Manuel Pérez Jigato wrote:
> thanks a lot Riad
> 
> are there any more input variables to run in parallel GW?
> 
> the other thing is, regarding the double precision GW compilation option,
> has anybody found differences? when is it needed?
> 
> regards
> 
> Manuel Perez Jigato
> KU Leuven
> 
> Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
> 
-- 
Dr. Riad Shaltaf                   UCL/SE/FSA/MAPR/PCPM
Tel: +32 (0)10 47 36 30            Bâtiment Boltzmann, a+1
Fax: +32 (0)10 47 34 52            1 place Croix du Sud
Mel: riad.shaltaf@uclouvain.be     1348 Louvain-la-Neuve (Belgique)