[gpaw-users] Script for benchmarking gpaw against G2-1

[Jens Jørgen Mortensen]

On 24-10-2011 23:28, Rolf Wuerdemann wrote:
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> Hi,
>
> because of some changes in setup-generation (concerning projectors)
> I like to benchmark gpaw against the G2-1 test-set.
>
> The scripts in "testing" or "scripts" seems to be a little
> out-dated. Did anyone have a recent version?

With the latest development version, you can use the 'gpaw' or 'ase' 
command line tool described here:

https://wiki.fysik.dtu.dk/gpaw/documentation/cmdline.html
https://wiki.fysik.dtu.dk/ase/ase/cmdline.html

Something like this:

   gpaw G2-1 -v 5 --atomize -l -p xc=PBE,h=0.18

With the '-l' option, you can run several jobs in parallel.

Jens Jørgen

> Kind regards,
>
>     Rolf
> - -- 
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