[Wien] Install Wien2k using oneAPI

[delamora]

I installed the intel oneAPI
I have in /etc/bashrc;
source /opt/intel/compilers_and_libraries_2019.0.117/linux/bin/compilervars.sh -arch intel64 -platform linux
Now I need the oneAPI source

Saludos

Pablo

________________________________
De: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Peter Blaha <pblaha at theochem.tuwien.ac.at>
Enviado: jueves, 11 de marzo de 2021 09:59 a. m.
Para: wien at zeus.theochem.tuwien.ac.at <wien at zeus.theochem.tuwien.ac.at>
Asunto: Re: [Wien] Install Wien2k using oneAPI


I just installed oneAPI today  (it is free !!!). You need the Base and the HPC (high performance computing) toolkit.

It was trivial to install, but the setting of the environment is slightly different.


Once installed, WIEN2k compiles with the standard option (ifort+mkl) without any changes.


Am 11.03.2021 um 16:52 schrieb Laurence Marks:
Since nobody has responded, I will. I have oneAPI running without any issue for some months. Of course sometimes the installation is tricky. I suggest going ahead, then coming back to the list if there are any problems.

On Wed, Mar 10, 2021 at 12:38 AM Riyajul Islam <riyajul80 at gmail.com<mailto:riyajul80 at gmail.com>> wrote:
Dear Wien2k users,
I have used Intel parallel studio for intel fortran compiler to install Wien2k 19.2 but the license has expired. As they have recently transitioned from Intel Parallel Studio XE to Intel oneAPI, so is there any way that I can install Wien2k using Intel oneAPI?

Kind regards
--
Riyajul Islam
National Institute of Technology Nagaland

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--
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu<http://www.numis.northwestern.edu/>
"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi



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--
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at<mailto:peter.blaha at tuwien.ac.at>
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