<div dir="ltr">I did not resolve my ifort issue but managed to successfully install Wien2k by deleting my Wien2k directory and starting over with the gfortran option -- thank you all for the help!<div><br></div><div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, Jun 2, 2023 at 9:14 PM Laurence Marks <<a href="mailto:laurence.marks@gmail.com">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="auto">Sorry Gavin, but "source setvars.sh" in .bashrc is fine, so long as you use<div dir="auto"><div dir="auto"><div dir="auto"><br></div><div dir="auto">source Wherever/intel/oneapi/setvars.sh > /dev/null</div><div dir="auto"><br></div><div dir="auto">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).</div><div dir="auto"><br></div><div dir="auto">I use</div><div dir="auto"><br></div><div dir="auto"><div dir="auto">vars="$@"</div><div dir="auto">source Wherever/intel/oneapi/setvars.sh --config="My/oapi.txt" > /dev/null</div><div dir="auto">eval set -- $var</div><div dir="auto"><br></div><div dir="auto">This way you don't have to load all of OneAPI. The lines before and after are to cure an Intel bug in many versions.</div><div dir="auto"><br></div><div dir="auto">N.B., his gfortran problem was because only the compiler was changed, not the options.</div><div dir="auto"><br></div></div></div><div dir="auto">--<br>Professor Laurence Marks (Laurie)<br>Department of Materials Science and Engineering, Northwestern University<br><a href="https://urldefense.com/v3/__http://www.numis.northwestern.edu__;!!Mih3wA!GdgraWsT2nT39isUDn-mLtZC1FGWGhPpsVZ6ANkZZDq5nIIo300hsbdL_GKlNSTeP-zk8Ha-vKuvOcmTME6ElBk$" target="_blank">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><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Fri, Jun 2, 2023, 22:51 Gavin Abo <<a href="mailto:gabo13279@gmail.com" target="_blank">gabo13279@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>
<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 href="https://urldefense.com/v3/__https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf__;!!Mih3wA!GdgraWsT2nT39isUDn-mLtZC1FGWGhPpsVZ6ANkZZDq5nIIo300hsbdL_GKlNSTeP-zk8Ha-vKuvOcmTcm9LDjQ$" rel="noreferrer" target="_blank">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_OneAPI(ifort).pdf</a><br>
</p>
<p>I think the default gfortran settings may have worked with old
version of that compiler, but I believe I had to adjust them to
work with more recent compilers. Perhaps the same setting I used
in Ubuntu will also work in RHEL. See:<br>
</p>
<p><a href="https://urldefense.com/v3/__https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf__;!!Mih3wA!GdgraWsT2nT39isUDn-mLtZC1FGWGhPpsVZ6ANkZZDq5nIIo300hsbdL_GKlNSTeP-zk8Ha-vKuvOcmTu6DGGY8$" rel="noreferrer" target="_blank">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k23.2_Ubuntu22.04_Install_with_gfortran.pdf</a></p>
<p><br></p><blockquote type="cite"><div class="gmail_quote"><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>
<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" rel="noreferrer" target="_blank">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$" rel="noreferrer" target="_blank">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></pre>
</blockquote>
</div>
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</blockquote></div></div>
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</blockquote></div>