[gpaw-users] parallelization on clusters without Infiniband

[Michal Krompiec]

Dear Jens, Dear Ask,
Thank you very much for the explanation.
Best,
Michal


On Tue, 30 Jun 2020 at 13:16, Ask Hjorth Larsen <asklarsen at gmail.com> wrote:

> Dear Michal,
>
> Am Di., 30. Juni 2020 um 14:12 Uhr schrieb Jens Jørgen Mortensen via
> gpaw-users <gpaw-users at listserv.fysik.dtu.dk>:
> >
> > On 6/22/20 12:02 PM, Michal Krompiec via gpaw-users wrote:
> > > Hello,
> > > How do I specify parallelization options to minimize inter-node
> > > communication on systems without Infiniband? For example, for a
> > > calculation with 2 k-points on 2 nodes, should parallel={'kpt'=2,
> > > 'order'='kdb', 'sl_auto':True } do the trick?
>
> Yes exactly.
>
> (One thing to be aware of is that I am not sure how well tested the
> 'order' keyword is.  There *could* be trouble with some orders.)
>
> I recommend also setting augment_grids=True.
>
> Best regards
> Ask
>
> >
> > Yes.
> >
> > Jens Jørgen
> >
> > > Thanks,
> > > Michal Krompiec
> > >
> > >
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> > >
> >
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