[Wien] upgradation of wien2k

Burhan Ahmed burhan.ahmed at aus.ac.in
Wed Jun 21 11:40:14 CEST 2023


I'm upgrading from wien2k_20 to wien2k_23.2 using the steps mentioned in
the website.

After giving the ./siteconfig_lapw -update wien2k_direcyory(old) and
choosing R recompile option and then A compile all, it is taking
longer than expected time. It's been more than 2.5 hours and still it's
compiling with no error message. Is there any issue in compiling or it
generally take much longer time than the usual installation/update in
simple i3/i5 machine?

On Mon, 5 Jun, 2023, 11:36 am Peter Blaha, <peter.blaha at tuwien.ac.at> wrote:

> Download the latest version and follow the instructions on the download
> site. There is even a new option for using the old siteconfig options in
> the new distribution.
>
>
> Am 05.06.2023 um 07:38 schrieb Burhan Ahmed:
> > Dear experts,
> >
> > I am having a compact cluster with 100gb RAM, 36 cores and 12 TB SATA
> > hard disk and currently using wien2k_20 in CentOS. How do I upgrade the
> > version of wien2k to wien2k_23.x.
> >
> > Regards
> >
> > Burhan Ahmed
> >
> > *Research Scholar, AUS *
> >
> >
> > _______________________________________________
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>
> --
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300
> Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at
> -------------------------------------------------------------------------
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