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<p>The sed may need different arguments for macOS based on webpages
at the following two links:</p>
<a class="moz-txt-link-freetext" href="https://stackoverflow.com/questions/29081799/sed-1-invalid-command-code-f">https://stackoverflow.com/questions/29081799/sed-1-invalid-command-code-f</a><br>
<p><a class="moz-txt-link-freetext" href="https://stackoverflow.com/questions/19456518/error-when-using-sed-with-find-command-on-os-x-invalid-command-code">https://stackoverflow.com/questions/19456518/error-when-using-sed-with-find-command-on-os-x-invalid-command-code</a></p>
<p>WIEN2k I installed in Linux using oneAPI 2021.6.0 as described at
the following link:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21943.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg21943.html</a><br>
</p>
<p>It is not shown in the above link, but the TiC example from the
WIEN2k userguide did run and the calculation did complete the scf
cycles just fine. <br>
</p>
<p>The SIGSEGV error I think is likely not related to the sed
error. I don't have MacOS, such that that I'm unable help
troubleshot the error. <br>
</p>
<p>There were two links that helped me in the past with SIGSEGV
errors. So they might help you as well, they are:</p>
<a class="moz-txt-link-freetext" href="https://www.intel.com/content/www/us/en/developer/articles/troubleshooting/determining-root-cause-of-sigsegv-or-sigbus-errors.html">https://www.intel.com/content/www/us/en/developer/articles/troubleshooting/determining-root-cause-of-sigsegv-or-sigbus-errors.html</a><br>
<p><a class="moz-txt-link-freetext" href="http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html">http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html</a></p>
<p>Kind Regards,</p>
Gavin<br>
WIEN2k user<br>
<br>
<div class="moz-cite-prefix">On 8/4/2022 8:54 AM, Zhu, Jianxin via
Wien wrote:<br>
</div>
<blockquote type="cite"
cite="mid:A042D1BC-823F-4CB2-AD0C-A4993434A909@lanl.gov">
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<div class="WordSection1">
<p class="MsoNormal"><span style="color:black">Dear Laurence, <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">I would like to
respond to your N.B. on the absolute path. –<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">1/ <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">After I fire up
./siteconfig_lapw, and choose “O”, and then “S” (for save),
it displays<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black"> ***********************************************************************<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black"> *
Changing compiler options
*<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black"> ***********************************************************************<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">
Changing Parallel Compiler to <o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">sed:
1: "/Users/jxzhu/wien2k.19. ...": invalid command code j<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">
changing Makefile in SRC_lib/blas_lapw<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">
changing Makefile in SRC_lib/lapack_lapw<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">…<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">Since I only want
to install the non-MPI version of the code, I don’t
understand why there is a header “Changing Parallel Compiler
to”.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">But maybe this
block for parallel compiler is skipped, I am not so
concerned.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">2/ oneAPI on Mac
has a strange way to set up on tcsh shell that I am using.
It is advised that we do the following on an open terminal
not placed into the login shell script file<o:p></o:p></span></p>
<p class="MsoNormal" style="margin-left:.5in"><span
style="font-size:12.0pt;color:#2EAEBB">bash</span><span
style="font-size:12.0pt;color:black"> </span><span
style="font-size:12.0pt;color:#C814C9">-c</span><span
style="font-size:12.0pt;color:black"> </span><span
style="font-size:12.0pt;color:#B42419">'source
/opt/intel/oneapi/setvars.sh intel64 ; exec csh'</span><span
style="color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">3/<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">The more
concerning line is: <o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">sed:
1: "/Users/jxzhu/wien2k.19. ...": invalid command code j<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">Could it be the
root cause for the Segment Fault error in “x lapw0”?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">forrtl:
severe (174): SIGSEGV, segmentation fault occurred<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">Image
PC Routine Line
Source <o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">lapw0
000000010484EE84 Unknown
Unknown Unknown<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">libsystem_platfor 00007FF80F4C8DFD Unknown
Unknown Unknown<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">lapw0
00000001047FE935 _xcpot1_
1 xcpot1.f<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">lapw0
00000001047BF484 _MAIN__
2308 lapw0.F<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">lapw0
000000010472CC2E Unknown
Unknown Unknown<o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-size:8.5pt;font-family:Menlo;color:black">0.083u
0.110s 0:00.34 55.8% 0+0k 0+0io 949pf+0w<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">I am now coming
back to try to understand this “sed” error. <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">4/ I do set a
WIENROOT in the PATH of the login shell script file.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">Best,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black"> <o:p></o:p></span></p>
<p class="MsoNormal"><span style="color:black">Jianxin<o:p></o:p></span></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<p class="MsoNormal"><span
style="font-family:Times;color:black">#############################<br>
Jian-Xin Zhu, Ph.D<br>
Theoretical Division, MS B262<br>
Los Alamos National Laboratory<br>
Los Alamos, New Mexico 87545<br>
Phone: (505) 667 2363 (T-4);</span><span
style="font-size:12.0pt;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-family:Times;color:black">(505) 667 6602
(CINT)</span><span style="font-size:12.0pt;color:black"><o:p></o:p></span></p>
<p class="MsoNormal"><span
style="font-family:Times;color:black">Fax: (505) 665 4063<br>
Email: <a href="http://jxzhu.at.lanl.gov"
moz-do-not-send="true"><span style="color:#954F72">jxzhu.at.lanl.gov</span></a><br>
URL: <a href="http://cint.lanl.gov" moz-do-not-send="true"><span
style="color:#954F72">http://cint.lanl.gov</span></a><br>
##############################</span><span
style="font-size:12.0pt;color:black"><o:p></o:p></span></p>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<div style="border:none;border-top:solid #B5C4DF
1.0pt;padding:3.0pt 0in 0in 0in">
<p class="MsoNormal"><b><span
style="font-size:12.0pt;color:black">From: </span></b><span
style="font-size:12.0pt;color:black">Laurence Marks
<a class="moz-txt-link-rfc2396E" href="mailto:laurence.marks@gmail.com"><laurence.marks@gmail.com></a><br>
<b>Reply-To: </b><a class="moz-txt-link-rfc2396E" href="mailto:laurence.marks@gmail.com">"laurence.marks@gmail.com"</a>
<a class="moz-txt-link-rfc2396E" href="mailto:laurence.marks@gmail.com"><laurence.marks@gmail.com></a><br>
<b>Date: </b>Sunday, July 10, 2022 at 12:35 PM<br>
<b>To: </b>A Mailing list for WIEN2k users
<a class="moz-txt-link-rfc2396E" href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a><br>
<b>Cc: </b>Jianxin Zhu <a class="moz-txt-link-rfc2396E" href="mailto:jxzhu@lanl.gov"><jxzhu@lanl.gov></a><br>
<b>Subject: </b>[EXTERNAL] Re: [Wien] Wien2k with oneAPI
on Mac OSX (Monterey)<o:p></o:p></span></p>
</div>
<div>
<p class="MsoNormal"><o:p> </o:p></p>
</div>
<div>
<div>
<p class="MsoNormal">I only compiled on Linux, and I suspect
Peter did as well. Maybe others have in OSX?
<o:p></o:p></p>
<div>
<p class="MsoNormal"><o:p> </o:p></p>
</div>
<div>
<p class="MsoNormal">You should probably check the
compiler options for anything specific to OSX, and . The
errors entering xcpot1 indicates something major wrong
with the compilation.<o:p></o:p></p>
</div>
<div>
<p class="MsoNormal"><o:p> </o:p></p>
</div>
<div>
<p class="MsoNormal" style="margin-bottom:12.0pt">N.B., it
may not matter but I do not understand why you have a
full path in the parallel compiler. More normal is to
setup your PATH variable properly, then just use the
short name. Did you source the Intel script to set the
environment (needed)?<o:p></o:p></p>
<div>
<p class="MsoNormal">--<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering,
Northwestern University<br>
<a
href="https://urldefense.com/v3/__http:/www.numis.northwestern.edu__;!!Bt8fGhp8LhKGRg!B8CKTbz6Hi7qXQViiz4xp_4KbpuPzRZjbBq18gwZvinvPYVLLy4CNaqjzOGNoPX6aZqwfA7B7oV33VcmmU9l6Fa7$"
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<o:p></o:p></p>
</div>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<div>
<div>
<p class="MsoNormal">On Sun, Jul 10, 2022, 1:01 PM Zhu,
Jianxin 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:<o:p></o:p></p>
</div>
<blockquote style="border:none;border-left:solid #CCCCCC
1.0pt;padding:0in 0in 0in
6.0pt;margin-left:4.8pt;margin-right:0in">
<p class="MsoNormal">Dear All, <br>
<br>
Recently I upgraded my Mac OSX system to Monterey.<br>
I also downloaded and installed Intel oneAPI 2022.1.0
on the system.<br>
<br>
1/ The compilation of wien2k.21.1 (and wien2k.19.1)
seems to be successful. <br>
[I only want to install the k-point coarse-grained
wien2k on the system. <br>
After I enter "O" (Compiling Options) and then "S"
(Save and Quit), the following
<br>
comes up<br>
<br>
***********************************************************************<br>
* Changing compiler options
*<br>
***********************************************************************<br>
<br>
Changing Parallel Compiler to <br>
<br>
sed: 1: "/Users/jxzhu/wien2k.19. ...": invalid command
code j<br>
<br>
...<br>
<br>
I suspect this is due to the missing of $MPR variable
value and hope it has no impact to the non-MPI
installation.]<br>
<br>
2/ The severe problem comes up during the run-time
stage. For example, for TiC, <br>
<br>
..../TiC] jxzhu% x lapw0<br>
forrtl: severe (174): SIGSEGV, segmentation fault
occurred<br>
Image PC Routine
Line Source <br>
lapw0 000000010D2EAE84 Unknown
Unknown Unknown<br>
libsystem_platfor 00007FF801D93DFD Unknown
Unknown Unknown<br>
lapw0 000000010D29A935 _xcpot1_
1 xcpot1.f<br>
lapw0 000000010D25B484 _MAIN__
2308 lapw0.F<br>
lapw0 000000010D1C8C2E Unknown
Unknown Unknown<br>
0.086u 0.037s 0:00.16 68.7% 0+0k 0+0io 186pf+0w<br>
error: command /Users/jxzhu/wien2k.21.1/lapw0
lapw0.def failed<br>
<br>
This problem occurs regardless of wien2k being 21.1 or
19.1.<br>
[Since I am using tcsh shell, I have execute the
following to run jobs<br>
bash -c 'source /opt/intel/oneapi/<a
href="https://urldefense.com/v3/__http:/setvars.sh__;!!Bt8fGhp8LhKGRg!B8CKTbz6Hi7qXQViiz4xp_4KbpuPzRZjbBq18gwZvinvPYVLLy4CNaqjzOGNoPX6aZqwfA7B7oV33VcmmRHWC5x8$"
moz-do-not-send="true">setvars.sh</a> intel64 ; exec
csh'<br>
]<br>
<br>
<br>
I read the group mailing list and see the thread by
Peter and Laurence in early 2021 indicating the code
should run fine with oneAPI.
<br>
But I am not sure if it is for Linux or Mac system.<br>
<br>
I wonder if any community member has encountered the
same problem. <br>
Any thoughts and suggestions are appreciated. <br>
<br>
Best,<br>
<br>
Jianxin</p>
</blockquote>
</div>
</div>
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