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

[Laurence Marks]

Sorry Gavin, but "source setvars.sh" in .bashrc is fine, so long as you use

source Wherever/intel/oneapi/setvars.sh > /dev/null

and change "Wherever" as appropriate. The > /dev/null is needed if you want
scp to work, as any print output from .bashrc breaks scp (weird, but true).

I use

vars="$@"
source Wherever/intel/oneapi/setvars.sh --config="My/oapi.txt" > /dev/null
eval set -- $var

This way you don't have to load all of OneAPI. The lines before and after
are to cure an Intel bug in many versions.

N.B., his gfortran problem was because only the compiler was changed, not
the options.

--
Professor Laurence Marks (Laurie)
Department of Materials Science and Engineering, Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi

On Fri, Jun 2, 2023, 22:51 Gavin Abo <gabo13279 at gmail.com> wrote:

> Not sure if it helps or not:
>
> I saw that you said you used setvars.sh.  I might have missed it, but did
> you also say you used "setvars.h intel64" like what is shown on page 3 in:
>
>
> https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf
>
> I think the default gfortran settings may have worked with old version of
> that compiler, but I believe I had to adjust them to work with more recent
> compilers.  Perhaps the same setting I used in Ubuntu will also work in
> RHEL.  See:
>
>
> https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf
>
>
>
>> On Fri, Jun 2, 2023 at 3:25 PM Brandon Gunn via Wien <
>> wien at zeus.theochem.tuwien.ac.at> wrote:
>>
>>> Also, if I try to install using gfortran + gcc, it gives errors like
>>> this when compiling:
>>>
>>> rm  -f *.o *.list *.prj ../libblas_lapw.a
>>> gfortran -c  -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
>>> -traceback -assume buffered_io -I/include blas_lapw1.f
>>> gfortran: error: unrecognized command-line option ‘-assume’
>>> make: *** [Makefile:86: ../libblas_lapw.a(blas_lapw1.o)] Error 1
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>>
>>
>> --
>> Professor Laurence Marks (Laurie)
>> Department of Materials Science and Engineering
>> Northwestern University
>> www.numis.northwestern.edu
>> <https://urldefense.com/v3/__http://www.numis.northwestern.edu__;!!Mih3wA!CNA_Bpvs9ius9V9Ydz9_FfKT1DxKPyF7x1TmakjKJvxSdSccuf4hLxf6-8_WQiy46Osj3lk3mTIJGbKhzL0efSw$>
>> "Research is to see what everybody else has seen, and to think what
>> nobody else has thought", Albert Szent-Györgyi
>>
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