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<p>I've not run the executables to check for any run time issues.
However, there does appear to be another workaround for using the
higher compiler optimization (-O). After doing a "Compile all
programs" in siteconfig with -O and -standard-semantics but
answering no to libxc and answering no to elpa during the compiler
options setup, siteconfig gave me the following output showing no
build errors:<br>
</p>
<p>...<br>
</p>
<p>ifx -o ./structgen module.o spacegroup.o getlattype.o getsgnum.o
getsgname.o getzz.o structgen.o scan_cif.o ciftbx.o hash_funcs.o
test_sgname.o scan_in.o scan_octave.o -O -FR -mp1 -w -prec_div
-pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io
-I/opt/intel/oneapi/mkl/2025.0/include -standard-semantics
-L/opt/intel/oneapi/mkl/2025.0/lib/ -lpthread -lm -ldl -liomp5
<br>
Copying programs<br>
...<br>
<br>
Compile time errors (if any) were:<br>
<br>
<br>
Check file compile.msg in the corresponding SRC_* directory
for the <br>
compilation log and more info on any compilation problem.<br>
</p>
<p>Best Regards,</p>
Gavin<br>
WIEN2k user
<p></p>
<div class="moz-cite-prefix">On 12/27/2024 9:04 AM, Gavin Abo wrote:<br>
</div>
<blockquote type="cite"
cite="mid:829d3112-a582-4b3c-8b61-dac5d8921182@gmail.com">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<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 workaround 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>
WIEN2k user<br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 12/27/2024 8:37 AM, Laurence Marks
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CANkSMZB5hqZsS+6wrvKb00rPpWfz3LHzHU1FDpRJU8n5j2kHrw@mail.gmail.com">
<meta http-equiv="content-type"
content="text/html; charset=UTF-8">
<div dir="auto">
<div>Try removing -pad</div>
<div><br>
</div>
<div data-smartmail="gmail_signature">---<br>
Emeritus Professor Laurence Marks (Laurie)<br>
<a href="http://www.numis.northwestern.edu"
moz-do-not-send="true">www.numis.northwestern.edu</a><br>
<a
href="https://scholar.google.com/citations?user=zmHhI9gAAAAJ&hl=en"
moz-do-not-send="true">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>
</div>
</blockquote>
</blockquote>
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