[Wien] supported ELPA versions?

Eamon McDermott eamon.mcdermott+wien2k at gmail.com
Mon Jul 9 16:34:13 CEST 2018


As a data point, I have had success using ELPA as far up as 2016.05.004 on
WIEN2k_17 (haven't tested on the new release yet).

The trick is that you have to manually copy two files from the ELPA build's
'private_modules' directory to the include directory that ELPA installs to
(something like $PREFIX/include/elpa-2017.05.002):

mod_blacs_infrastructure.mod
test_util.mod

I don't believe this works anymore in the later versions, since they
changed their interface.
--
Eamon

On Mon, 9 Jul 2018 at 16:20, Ruh, Thomas <thomas.ruh at tuwien.ac.at> wrote:

> Dear Pavel,
>
> we used the ELPA version 2015.11.001 for implementation. There this module
> is still present - apparently there was a change of the interface between
> this version and the newer ones.
> I will look into getting the newest ELPA working with WIEN2k, however, at
> the moment, I am having problems even compiling the newest ELPA version on
> our system. Did the installation work for you without problem?
>
> I will keep you updated regarding the usability of newer versions, but in
> the meantime you could use version 2015.11.001.
>
> Kind regards,
> Thomas
> ________________________________________
> Von: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> im Auftrag von Pavel
> Ondračka <pavel.ondracka at email.cz>
> Gesendet: Montag, 09. Juli 2018 15:26
> An: wien at zeus.theochem.tuwien.ac.at
> Betreff: [Wien] supported ELPA versions?
>
> Dear Wien2k mailing list,
>
> what is the recommended ELPA version? I've tried the 2017.05.003 and
> 2018.05.001 versions with no luck (missing mod_blacs_infrastructure.mod
> file).
>
> Best regards
> Pavel
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