[Wien] We encountered some issues to install WiEN2k

[Peter Blaha]

> 6. ./siteconfig_lapw
> 
> 7. selected LG (gfortran + gcc)
> 
> 8. ./userconfig_lapw
> 
> 9. Compilation

After compilation siteconfig reports a list of errors. You cannot ignore 
such messages.
It also told you that it could not copy  dstart, lapw0,.....

You have to read the errors in SRC_xxx/compile.msg (where xxx is dstart, 
lapw0, lapw1, ...), understand them and try to solve them.

You said you fixed dstart with openblas. Ok.
Nut many other programs need the openblas too. You have to fix this in 
the compile options of siteconfig and recompile.
Then look for any remaining errors.
Fix them and rerun siteconfig until no errors appear.

> 
> 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 <mailto:mohammadabdulalim at cu.ac.bd>, 
> mohammadabdulalim at ieee.org <mailto:mohammadabdulalim at ieee.org>
> Web: http://cu.ac.bd/public_profile/index.php?ein=4547 <http://cu.ac.bd/ 
> public_profile/index.php?ein=4547>
> 
> 
> 
> 
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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