Dear Brandon,
You probably need to 'source' the setvars.sh script of oneAPI:
https://www.intel.com/content/www/us/en/docs/oneapi/programming-guide/2023-0/use-the-setvars-script-with-linux-or-macos.html
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
(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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