[Wien] help detailed installation documentation for WIEN2k

[Gavin Abo]

The general installation steps between previous WIEN2k versions and the 
latest WIEN2k 19.1 has not changed.

1. You still go to the WIEN2k website: 
http://susi.theochem.tuwien.ac.at/reg_user/index.html

2. Click on the "Code download (after registration)" link followed by 
entering your User Name and Password

3. Download the new version (WIEN2k_19.1.tar) onto your Linux system (at 
the supercomputing center usually to home directory)

4. Extract the files:

     tar -xvf WIEN2k_19.1.tar
     gunzip *.gz

5. Set file execute permission and run the expand script:

     chmod +x ./expand_lapw
     ./expand_lapw

6. Execute the site configuration script to build WIEN2k:

./siteconfig_lapw

7. Execute the user configuration script to setup the environment (.bashrc):

./userconfig_lapw

For additional details, the scripts themselves are self documenting when 
you run them and there is information in the WIEN2k 19.1 usersguide 
(section "11 Installation and Dimensioning" starting on page 233) [ 
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ].

In addition, there should be many posts in the mailing list archive 
describing installations of WIEN2k that are searchable, refer to:

http://www.wien2k.at/reg_user/mailing_list/

Three of the many posts as an example that I suggest as reading and 
follow as guidance are:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16627.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18663.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18664.html

Since there have been several fixes given for WIEN2k 19.1 in the mailing 
list archive, I'm hoping a new release will be coming out soon.  I have 
fallen behind in maintaining my list, but until either a new release 
comes out or I'm get bring it up to date then some of them are listed at 
[ https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1 ].

Some of the other ones I believe I'm currently missing in my list are:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19005.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19088.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19103.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19246.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19244.html

On 12/30/2019 5:54 PM, 杨宇光 wrote:
>
> We are installing Wien2k on the supercomputing center, Can you send us 
> detailed installation documentation for WIEN2k?
> We would be appreciated if you reply us.
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