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

[Brandon Gunn]

Hi Jan,

Thank you for the response. That shell script has already been sourced. I
believe that successfully calling ifort from terminal indicates that
setvars.sh has worked. Unfortunately, this does not resolve my issue.

On Fri, Jun 2, 2023, 1:54 PM Jan Doumont <jan.doumont at tuwien.ac.at> wrote:

> Dear Brandon,
>
> You probably need to 'source' the setvars.sh script of oneAPI:
>
> https://urldefense.com/v3/__https://www.intel.com/content/www/us/en/docs/oneapi/programming-guide/2023-0/use-the-setvars-script-with-linux-or-macos.html__;!!Mih3wA!CnxKgx_jiXXla9fOKe_vt98P1lfOtrvbJ2DptpeA-uZJ5p5_-imHh0LtNep9Suzb_1bgUq3Uz73X1BuZ0sl_zDgT$
>
> BW
> Jan Doumont
>
> On 02/06/2023 22:07, Brandon Gunn via Wien wrote:
> > 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
> > (
> https://urldefense.com/v3/__http://www.wien2k.at/reg_user/faq/redhat90.html__;!!Mih3wA!CnxKgx_jiXXla9fOKe_vt98P1lfOtrvbJ2DptpeA-uZJ5p5_-imHh0LtNep9Suzb_1bgUq3Uz73X1BuZ0ixciLHA$
> ) 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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