Dear Prof. Blaha,
Thank you for the explanation.
The general idea was hard to get from the UG.
Sincerely
Mikhail
>Пятница, 15 октября 2021, 19:37 +03:00 от Peter Blaha
>:
>
>I think (hope) the parallelization of this script is well described in
>the UG or simply in the "online help"
Dear wien2k community,
I am trying to use new script optimize_abc_lapw on a cluster. Something in its
behavior in terms of computer power consumption confused me and I am checking
how it actually works. I realized that at some point (at least when ‘doing
x-zchange’) it runs lapw0 and lapw1c
I think (hope) the parallelization of this script is well described in
the UG or simply in the "online help" using -h switch. It has multiple
options and levels for parallelization:
psi11:/psi11/scratch> optimize_abc -h
USAGE: optimize_abc [-h -t 2/3 -sp -p -n X -FC X -d X -ctest X Y Z
3 matches
Mail list logo
