[Wien] Issues with ifort and MKL while installing on Red Hat

[Peter Blaha]

Hard to guess what goes wrong.

The gfortran issue is pretty clear, as you still have the ifort compiler 
options in the Makefiles.

If it is true that check_minimal_software_requirements.sh  finds ifort 
and MKL, but (in the same terminal !)  siteconfig does not find it, it 
may point to a problem with your tcsh.

You could simply say:
tcsh
which ifort

Does it find ifort ?


Am 02.06.2023 um 22:07 schrieb Brandon Gunn via Wien:
> Background information:
> 
> I recently migrated from an Ubuntu system to a Red Hat 9 (Almalinux 9, 
> technically) system and am attempting to install the 2023 version of Wien2k.
> 
> I have installed the OneAPI Base toolkit with ifort + MKL and have added 
> a line to bashrc to source setvars.sh. From the terminal, I can call 
> ifort without problems.
> 
> When I run check_minimal_software_requirements.sh, it properly 
> identifies the paths for ifort and MKL. It only complains about not 
> finding FFTW3, but these libraries are discovered without issue when 
> running siteconfig_lapw.
> 
> The problems:
> 
> When I run siteconfig_lapw, it immediately states that "It seems you do 
> not have the intel fortran compiler in your path", even though it is 
> identified by check_minimal_software_requirements.sh.
> 
> Upon continuing, on the "Specify compiler and linker options" page, it says:
> 
> You have the following mkl libraries in /lib/not :
> find: '/lib/not': No such file or directory
> MKL_TARGET_ARCH was set to not
> The default options shown on the next screen should be ok
> 
> What is happening here? It seems to be converting the "not found" error 
> into a path or something. Clearly "not" is not a valid entry for 
> MLK_TARGET_ARCH.
> 
> Upon continuing, it automatically discovers the LIBXC and FFTW 
> directories. (Side question: do I want libfftw3.so, libfftw3_omp.so, or 
> libfftw3.a?)
> 
> Upon continuing, I configure for a single computer and decline 
> configuring parallel execution. When trying to compile, I get many 
> errors of the form:
> 
> make: ifort: No such file or directory
> 
> How do I fix this? Do I have to modify the Compiler options or Linker 
> flags? In the FAQ, there is a page specific to RHEL 9 
> (http://www.wien2k.at/reg_user/faq/redhat90.html 
> <http://www.wien2k.at/reg_user/faq/redhat90.html>) but it is over 20 
> years old -- do I still need to apply these modifications to my Intel 
> installation?
> 
> Thank you
> 
> 
> 
> 
> 
> 
> 
> 
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
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