[Wien] Few questions regarding Install WIEN2k 23.2 with gfortran

[Victor Zenou]

Dear Wien2k users

The Wien2k manual guide recommends installing Wien2k using the Intel ifort
compiler and the Intel mkl library. The Intel compilers are not always
free, and from time to time, different  Intel's compiler package are
suggested.  Therefore, I tried using gfortran. As I'm not very familiar
with Ubuntu commands, it is extremely important to find guides from people
like Gavin

Few months ago, I’ve installed Wien2k 21.1 on 22.04.LTS Ubuntu, using
gfortran, guided by Gavin’s “WIEN2k 21.1 Install with gfortran”. For some
reason Ubuntu stopped working and  needed to be re-installed. This time I
plan to install Wien2k 23.2, using Gavin’s“WIEN2k 23.2 Install with
gfortran” guide.

I have few questions:

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



2. Gavin suggested: “FC  = mpifort -fallow-argument-mismatch”, but the
default in my computer is “mpif90”. Does it matter ?



3. Site configuration for Wien2k: Shall I use  “ ./siteconfig” (Gavin
suggestion) or use  “./siteconfig_lapw” (Wien2k manual)?

I have to admit that part is confusing.



Best regards,

Victor Zenou
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