[Wien] install WIEN2k_21.1 on Ubuntu 21.04

[Victor Zenou]

Thanks
Does Intel® oneAPI HPC Toolkit include mkl?
or I need both?


‫בתאריך יום ג׳, 12 באוק׳ 2021 ב-14:20 מאת ‪David Sanchez‬‏
<‪david.sanchez at irsamc.ups-tlse.fr‬‏>:‬
>
> Hello Victor,
>
> mkl is part of "Intel® oneAPI Base Toolkit", but fortran is part of
> "Intel® oneAPI HPC Toolkit"
>
> Regards,
>
> Le 12/10/2021 à 13:12, Victor Zenou a écrit :
> > Dear all
> >
> > I’m trying to install WIEN2k_21.1 on Ubuntu 21.04.
> >
> > I updated and installed few system packages:
> >
> > sudo apt update
> >
> > sudo apt install build-essential gcc-multilib rpm default-jre-headless
> > python tcsh gnuplot
> >
> > sudo apt install autoconf libtool ghostscript octave
> >
> >
> > I downloaded and installed “Intel® oneAPI Base Toolkit” which suppose
> > to have ifort complier and mkl. I also add a line to bashrc:
> >
> > source /opt/intel/oneapi/setvars.sh
> >
> >
> >
> > The command “ifort -v”, gives “Command 'ifort' not found,...”
> >
> >
> > ./siteconfig_lapw give the following message:
> >
> > It seems you do not have the intel fortran compiler in your path.
> >
> >
> > So it seems that my intel compiler either dio not exist or not in the path.
> >
> > How can I check that/
> >
> >
> > Any suggestions on how to proceed?
> >
> >
> > Best regards, victor Zenou
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> >
>
>
> --
> David Sanchez
> UNIVERSITÉ TOULOUSE III - Paul Sabatier
> Faculté des Sciences et d'Ingénierie
> Laboratoire de Chimie et Physique Quantique (LCPQ)
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