[Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS

[Gavin Abo]

The steps I use to install WIEN2k 21.1 in Ubuntu 22.04 LTS are in the 
document here:

https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k21.1_Ubuntu22.04_Install_with_gfortran.pdf

However, my steps use gfortran instead of oneAPI, so it might not help 
in your case.

I haven't tried the latest version of oneAPI with Ubuntu 22.04 LTS.  For 
oneAPI, steps 2, 3, 5 probably have to be replaced by:

sudo apt install intel-basekit
sudo apt install intel-hpckit
username at computername:~$ gedit ~/.bashrc
...
source /opt/intel/oneapi/setvars.sh intel64
...
username at computername:~$ source ~/.bashrc

In step 11 for oneAPI,

LG would need to change to LI

gfortran would change to ifort

gcc could stay the same or change to icc

Those are likely the major step changes, but there is probably some 
other minor related step changes you would have to adjust for.

Kind Regards,

Gavin
WIEN2k user

On 7/24/2022 5:05 AM, Victor Zenou wrote:
>
> Dear Wien2k users,
>
> I want to install Wien2k_21.1 on Ubuntu 22.04 LTS equipped with Intel 
> I7 processors.
>
> As Intel ifort compiler is no longer standalone and also Intel® 
> Parallel Studio XE is no longer available as a stand-alone product, 
> one can use Intel oneAPI 2022 or Intel oneAPI 2021 instead.
>
> Also Intel mkl library could be found under "Intel® oneAPI MKL".
>
> Few months ago I had to struggle with these different Intel's 
> names/versions, etc. I kept getting error messages.
>
> Now that I got a new computer I'd like to ask if someone recently 
> installed Wien2k_21.1 on Ubuntu 22.04 LTS and can give me some directions?
>
> Yes, I looked at Wien2k's FAQ, Wien2k mailing-list archive and Intel 
> websites.
>
> Also I'm not sure what I must have to do in order to have a fully 
> efficient functioning computer, as we all know that even if you got 
> the best machine money can buy, and for most of us this is not true, 
> one needs to "prepare" it properly.
>
> Best regards, Victor Zenou
>
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