[Wien] We encountered some issues to install WiEN2k

[Mohammad Abdul Alim]

Dear Sir
We encountered some issues to install WiEN2k
Our workflow goes like this,

We are using Ubuntu Jammy  Jellyfish version (22)

1. We installed the necessary libraries required for WIEN2k

2. We unzipped and expanded WIEN2k

Then we followed this procedure,

3. gunzip *.gz

4. chmod +x ./expand_lapw

5. ./expand_lapw

6. ./siteconfig_lapw

7. selected LG (gfortran + gcc)

8. ./userconfig_lapw

9. Compilation

9. . ~/.bashrc

10. w2web

Now,

What we face during running is,

1. dstart command not found

Even if the dstart command issue is solved through openblas inclusion the
scf cycle doesnt start,


2. lapw0, lapw1 commands not found.

running dstart in single mode
STOP DSTART ENDS
2.432u 0.978s 0:00.16 2125.0% 0+0k 0+368io 0pf+0w
running dstart in single mode
STOP DSTART ENDS
2.487u 0.950s 0:00.16 2143.7% 0+0k 0+344io 0pf+0w
0.008u 0.001s 0:00.01 0.0% 0+0k 0+336io 0pf+0w
clmextrapol_lapw has generated a new test4.clmsum
/home/maa/WIEN2K/lapw0: Command not found.
grep: scf1: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw2*.error: No such file or directory
grep: lapw1*.error: No such file or directory
grep: lapw1*.error: No such file or directory
stop error
ERROR status in test4_vol_-3.00


We believe that there is some major issue with compilation.

We're in dire need of a solution for this persisting issue. It would be
really helpful if you could assist us as we are shifting to WIEN2k for our
DFT calculations.

Thanks.
Professor Dr. Mohammad Abdul Alim
PhD in EEE (UoM, UK), Senior Member IEEE
Department of Electrical and Electronic Engineering,
University of Chittagong, Bangladesh.
Email: mohammadabdulalim at cu.ac.bd, mohammadabdulalim at ieee.org
Web: http://cu.ac.bd/public_profile/index.php?ein=4547
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