<div dir="ltr"><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">Try this:</div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000"><br></div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">cd $WIENROOT/SRC_Globals</div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">cp charge.f charge.f_old</div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">sed 's/ simd / parallel do/' charge.f_old > charge.f</div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000"><br></div><div class="gmail_default" style="font-family:arial,sans-serif;font-size:small;color:#000000">At least with my version of ifx (ifx (IFORT) 2021.1 Beta 20201113) the "$omp simd" lines fail even without -qopenmp. However, when they are converted to a straight parallel do they work fine. There are some pages noting issues if you search for "ifx omp simd".</div></div><br><div class="gmail_quote gmail_quote_container"><div dir="ltr" class="gmail_attr">On Fri, Dec 27, 2024 at 11:49 AM 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"><div dir="auto">I will send a few variants of charge.f next week. The cleanest solution is probably to add to relevant routines something like</div><div dir="auto">#ifdef _IFX</div><div dir="auto">$NOOPTOMIZE</div><div dir="auto">#endif</div><div dir="auto"><br></div><div dir="auto">I don't have access at the moment to the ifx docu to determine what the right directives are.</div><div dir="auto"><br></div><div dir="auto">---<br>Emeritus Professor Laurence Marks (Laurie)<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><br><a href="https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en" target="_blank">https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en</a><br>"Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi</div><br><div class="gmail_quote" dir="auto"><div dir="ltr" class="gmail_attr">On Fri, Dec 27, 2024, 16:04 Gavin Abo <<a href="mailto:gabo13279@gmail.com" target="_blank">gabo13279@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><u></u>
<div>
<p>The problem I've encountered with using -standard-semantics is
that only lapw0 and lapw1 don't compile with unreferenced errors
(e.g., libxc). Currently, a work around seems to be to recompile
lapw0 and lapw1 with -O0 without -standard-semantics.</p>
<p>I tried removing -pad but the segmentation error still happens:<br>
</p>
<p>username@computername:~/WIEN2k/SRC_dstart$ grep 'OPT =' Makefile<br>
FOPT = -O -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback
-assume buffered_io -I$(MKLROOT)/include $(OMP_SWITCH) <br>
FPOPT = -O -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback
-assume buffered_io -I$(MKLROOT)/include $(OMP_SWITCHP)
$(OMP_SWITCHP)<br>
username@computername:~/WIEN2k/SRC_dstart$ make<br>
...<br>
make dstart FORT=ifx FFLAGS=' -O -FR -mp1 -w -prec_div -pc80 -ip
-DINTEL_VML -traceback -assume buffered_io
-I/opt/intel/oneapi/mkl/2025.0/include -qopenmp '<br>
make[1]: Entering directory '/home/username/WIEN2k/SRC_dstart'<br>
...<br>
ifx -O -FR -mp1 -w -prec_div -pc80 -ip -DINTEL_VML -traceback
-assume buffered_io -I/opt/intel/oneapi/mkl/2025.0/include
-qopenmp -c charge.f<br>
#0 0x0000615e21717b41<br>
#1 0x0000615e2177c457<br>
#2 0x0000615e2177c585<br>
#3 0x0000071d83e45320<br>
#4 0x0000615e2089cba0<br>
#5 0x0000615e22ab0f28<br>
#6 0x0000615e21089b27<br>
#7 0x0000615e2108966c<br>
#8 0x0000615e2125b59a<br>
#9 0x0000615e20fc7253<br>
#10 0x0000615e20e7e752<br>
#11 0x0000615e20c0baac<br>
#12 0x0000615e20c0ac9d<br>
#13 0x0000615e20c0abf1<br>
#14 0x0000615e20febfe2<br>
#15 0x0000615e20bb0c1c<br>
#16 0x0000615e208f2e94<br>
#17 0x0000615e208f2cb9<br>
#18 0x0000615e20869241<br>
#19 0x0000615e20868f71<br>
#20 0x0000615e2097f34a<br>
#21 0x0000615e2097f121<br>
#22 0x0000615e20e9c8a9<br>
#23 0x0000615e216b4cfa<br>
#24 0x0000615e216b2a37<br>
#25 0x0000615e2165e64b<br>
#26 0x0000615e2183a704<br>
#27 0x0000071d83e2a1ca<br>
#28 0x0000071d83e2a28b __libc_start_main + 139<br>
#29 0x0000615e2149519e<br>
<br>
charge.f: error #5633: **Internal compiler error: segmentation
violation signal raised** Please report this error along with the
circumstances in which it occurred in a Software Problem Report.
Note: File and line given may not be explicit cause of this error.<br>
compilation aborted for charge.f (code 3)</p>
<p>...<br>
</p>
Gavin<br><br><blockquote type="cite">
<div dir="auto">
<div>__________________</div></div></blockquote></div>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" rel="noreferrer" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote></div></div>
</blockquote></div><div><br clear="all"></div><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr">Emeritus Professor Laurence Marks (Laurie)<div>Northwestern University<br><div><a href="http://www.numis.northwestern.edu" target="_blank">Webpage</a> and <a href="http://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en" target="_blank">Google Scholar link</a></div><div>"Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Györgyi</div></div></div></div>