[Wien] Few questions regarding Install WIEN2k 23.2 with gfortran

[Peter Blaha]

1. Are the following commands the same:
>
> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/OpenBLAS-0.3.23
>
>
> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/username/OpenBLAS
>

No, usually not. The openblas needs to be installed by you (see the 
instructions by Gavin). You install it into a particular directory and 
you have to use exactly this name later on.


> 2. Gavin suggested: “FC  = mpifort -fallow-argument-mismatch”, but the 
> default in my computer is “mpif90”. Does it matter ?
>
This may depend on your mpi version. Test it out. Type:

mpifort   or

mpif90

Does it find both commands ?   Type:

which mpifort

which mpif90

and do an    ls -als "path_as_given_above"     to see if they are just a 
link to each other.



> 3. Site configuration for Wien2k: Shall I use  “ ./siteconfig” (Gavin 
> suggestion) or use  “./siteconfig_lapw” (Wien2k manual)?
>
Come on ! As a user of wien2k you should know that ALL wien2k-shell 
scripts have long names

"command_lapw"    as well as short ones  "command".

So siteconfig or siteconfig_lapw   is the same, as is  x or x_lapw, run 
or run_lapw, ....



> I have to admit that part is confusing.
>
> Best regards,
>
> Victor Zenou
>
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
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