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

[Laurence Marks]

For gfortran you need to reset the compiler options so long as you do that
step. The script site_config does it for you.

Your issue with mkl is an issue with your computer, or you made a mistake.
Probably best to remove the whole directory, and reinstall from scratch.

--
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, 18:44 Brandon Gunn via Wien <
wien at zeus.theochem.tuwien.ac.at> wrote:

> Hi Laurence,
>
> Thank you for your response, the gfortran route sounds promising. When I
> run ./siteconfig_lapw, I do select the LG gfortran+gcc+OpenBlas option and,
> on the following prompts, I do set the compilers to gfortran and gcc, which
> led to the errors I posted. Do I need to manually change to gfortran via a
> text editor and, if so, do I need to modify siteconfig or siteconfig_lapw?
>
> Thank you,
> Brandon
>
> On Fri, Jun 2, 2023 at 1:51 PM Laurence Marks <laurence.marks at gmail.com>
> wrote:
>
>> Your last problem is easy: you need to change in site_config to use
>> gfortran, as all the compiler options are different.
>>
>> It is hard to know exactly what the earlier issues are, beyond that your
>> PATH variable is being messed up. All I wonder is whether $MKLPATH,
>> $MKLROOT etc were properly sourced/set before you run site_config, they
>> probably were not. For certain this is not a Wien2k problem, it is
>> something in your OS/configuration, sorry.
>>
>> On Fri, Jun 2, 2023 at 3:25 PM Brandon Gunn via Wien <
>> wien at zeus.theochem.tuwien.ac.at> wrote:
>>
>>> Also, if I try to install using gfortran + gcc, it gives errors like
>>> this when compiling:
>>>
>>> rm  -f *.o *.list *.prj ../libblas_lapw.a
>>> gfortran -c  -O -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
>>> -traceback -assume buffered_io -I/include blas_lapw1.f
>>> gfortran: error: unrecognized command-line option ‘-assume’
>>> make: *** [Makefile:86: ../libblas_lapw.a(blas_lapw1.o)] Error 1
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>>
>>
>> --
>> Professor Laurence Marks (Laurie)
>> Department of Materials Science and Engineering
>> Northwestern University
>> www.numis.northwestern.edu
>> <https://urldefense.com/v3/__http://www.numis.northwestern.edu__;!!Mih3wA!CNA_Bpvs9ius9V9Ydz9_FfKT1DxKPyF7x1TmakjKJvxSdSccuf4hLxf6-8_WQiy46Osj3lk3mTIJGbKhzL0efSw$>
>> "Research is to see what everybody else has seen, and to think what
>> nobody else has thought", Albert Szent-Györgyi
>> _______________________________________________
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>>
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>>
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