[Wien] compiling the WIEN2k 23.1 version

[delamora]

Prof Blaha,
Thank for your reply
When I ran the "siteconfig" it would run without stoping not allowing me to compile the program, but now it does stop and it allows me to compile

But there is something wrong in my computer in the earlier 17.1 version
I try to run a system and it stops just after LAPW0;
----------------------------------
[pablo at delamora Na-prueb]$ run
 LAPW0 END
SECLR4 - Error
grep: lapw2*.error: No such file or directory

>   stop error
[pablo at delamora Na-prueb]$ more lapw1.error
 Cholesky INFO =           87
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.
[pablo at delamora Na-prueb]$
--------------------------------------
So what are these errors? It seems that
Scalapack/LAPACK
has been corrupted

Pablo

________________________________
De: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Peter Blaha <peter.blaha at tuwien.ac.at>
Enviado: martes, 7 de marzo de 2023 06:13 a. m.
Para: wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
Asunto: Re: [Wien] compiling the WIEN2k 23.1 version

> I downloaded the WIEN2k 23.1 version
> I followed the instructions
>
> ......
>
> ./expand_lapw
>
> .siteconfig_lapw -update ../WIEN2k-21.1/
>
> but I did not compile it
> so I restarted the procedure from the begining and when I came to this
> last command
>
> .siteconfig_lapw -update ../WIEN2k-21.1/
>
> it was executed in one step, but I could not compile the program
> So my question is how I compile it

?????
You should come into the main menue of siteconfig. Then just press
R  (compile/recompile).

Make sure that   ../WIEN2k-21.1   still contains proper WIEN2k_*
configuration files.

>
> Pablo
>
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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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