[Wien] Installing Wien2k_21.1 on Ubuntu 22.04 LTS

Gavin Abo gabo13279 at gmail.com
Wed Jul 27 11:03:01 CEST 2022


The word document I made currently available (click Download button or 
View raw link) on the webpage at:

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

The steps of that document use the default NUME and NMATMAX values.  You 
may of course increase those values for utilizing more of your system 
RAM for WIEN2k calculations when you have larger structures that need it 
following the WIEN2k 21.1 userguide [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ] (refer to 
section 11.2.2 Site configuration for WIEN2k on page 248) or by 
referring to past mailing list posts such as those at the following 
three links:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13288.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16704.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08136.html

Best Regards,

Gavin
WIEN2k user

On 7/26/2022 4:57 AM, Victor Zenou wrote:
> Dear Gavin
> Thanks a lot. I already started installing WIEN2k 21.1 using your 
> "WIEN2k 21.1 Install with gfortran.pdf". Can you upload the same as a 
> word document?
> Right now I'm using 32 GB of RAM, and later going to add more 32 GB . 
> Does that addition require any update in the Wien2k installation?
> Best Regards, Victor
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