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<p>Not sure if it helps or not:</p>
<p>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:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf</a><br>
</p>
<p>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:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf</a></p>
<p>With RHEL, I suspect the main different might be having to
install operating system packages with yum instead of the apt that
Ubuntu uses.<br>
</p>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user<br>
<br>
<div class="moz-cite-prefix">On 6/2/2023 5:43 PM, Brandon Gunn via
Wien wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAMC7t01zYPq82-_trRWP=jw3yfUwUj=isM+uSrgdmhgps_eFmQ@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="ltr">Hi Laurence,
<div><br>
</div>
<div>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?</div>
<div><br>
</div>
<div>Thank you,</div>
<div>Brandon</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Fri, Jun 2, 2023 at 1:51 PM
Laurence Marks <<a href="mailto:laurence.marks@gmail.com"
moz-do-not-send="true" class="moz-txt-link-freetext">laurence.marks@gmail.com</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px
0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<div dir="ltr">
<div dir="ltr">
<div class="gmail_default"
style="font-family:verdana,sans-serif;color:rgb(0,0,0)">Your
last problem is easy: you need to change in site_config
to use gfortran, as all the compiler options are
different.</div>
<div class="gmail_default"
style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br>
</div>
<div class="gmail_default"
style="font-family:verdana,sans-serif;color:rgb(0,0,0)">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, $MKLROOT etc were properly
sourced/set before you run site_config, they probably
were not. For certain this is not a Wien2k problem, it
is something in your OS/configuration, sorry.</div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Fri, Jun 2, 2023 at
3:25 PM Brandon Gunn via Wien <<a
href="mailto:wien@zeus.theochem.tuwien.ac.at"
target="_blank" moz-do-not-send="true"
class="moz-txt-link-freetext">wien@zeus.theochem.tuwien.ac.at</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0px 0px 0px
0.8ex;border-left:1px solid
rgb(204,204,204);padding-left:1ex">
<div dir="ltr">Also, if I try to install using
gfortran + gcc, it gives errors like this when
compiling:
<div><br>
</div>
<div>rm -f *.o *.list *.prj ../libblas_lapw.a<br>
gfortran -c -O -FR -mp1 -w -prec_div -pc80 -pad -ip
-DINTEL_VML -traceback -assume buffered_io
-I/include blas_lapw1.f<br>
gfortran: error: unrecognized command-line option
‘-assume’<br>
make: *** [Makefile:86:
../libblas_lapw.a(blas_lapw1.o)] Error 1<br>
</div>
</div>
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</blockquote>
</div>
<br clear="all">
<div><br>
</div>
<span class="gmail_signature_prefix">-- </span><br>
<div dir="ltr" class="gmail_signature">
<div dir="ltr">Professor Laurence Marks (Laurie)<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a
href="https://urldefense.com/v3/__http://www.numis.northwestern.edu__;!!Mih3wA!CNA_Bpvs9ius9V9Ydz9_FfKT1DxKPyF7x1TmakjKJvxSdSccuf4hLxf6-8_WQiy46Osj3lk3mTIJGbKhzL0efSw$"
target="_blank" moz-do-not-send="true">www.numis.northwestern.edu</a><br>
"Research is to see what everybody else has seen, and to
think what nobody else has thought", Albert
Szent-Györgyi</div>
</div>
</div>
</blockquote>
</div>
<pre class="moz-quote-pre" wrap=""></pre>
</blockquote>
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