<meta http-equiv="Content-Type" content="text/html; charset=GB18030"><div><p class="MsoNormal"><span lang="EN-US">Dear Prof Abo,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<p class="MsoNormal"><span lang="EN-US">Thank you for your reply.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">In terms of OpenBLAS-0.3.9 libraries, in my
OpenBLAS-0.3.9/lib, there are several files as the below:
libopenblas_nehalemp-r0.3.9.a, libopenblas_nehalemp-r0.3.9.so, libopenblas.so, libopenblas.so.0,
libopenblas.a. Are they as same as yours?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<p class="MsoNormal"><span lang="EN-US">Then during ./siteconfig_lapw, I choose O
to set libraries “R_LIBS(LAPACK+BLAS)”, then how to set the “Real libraries”? Would
you like to tell me how set the “Real libraries” parameter so that could obtain
the result just like your path for R_LIBS as “-L/home/username/OpenBLAS-0.3.9
-lopenblas -llapack_lapw –lpthread”?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">In my setting, I did a couple of tries and
obtain three kinds of results as below:<o:p></o:p></span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><!-- [if !supportLists] --><span lang="EN-US">1.<span style="font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 7pt; line-height: normal; font-family: "Times New Roman";">
</span></span><!-- [endif] --><span lang="EN-US">When I set the R_LIBS such as
/home/username/OpenBLAS-0.3.9/lib/libopenblas.so (or libopenblas.so.0, or libopenblas_nehalemp-r0.3.9.so),
then the massage is: /usr/bin/ld: warning: libgfortran.so.3, needed by
/home-yw/Soft/OpenBLAS-0.3.9/lib/libopenblas.so, may conflict with
libgfortran.so.5.<o:p></o:p></span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><!-- [if !supportLists] --><span lang="EN-US">2.<span style="font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 7pt; line-height: normal; font-family: "Times New Roman";">
</span></span><!-- [endif] --><span lang="EN-US">When I set the R_LIBS such as /home/username/OpenBLAS-0.3.9/lib
or /home/username/OpenBLAS-0.3.9, then the massage is: file not recognized: Is
a directory.<o:p></o:p></span></p>
<p class="MsoListParagraph" style="margin-left:18.0pt;text-indent:-18.0pt;
mso-char-indent-count:0;mso-list:l0 level1 lfo1"><!-- [if !supportLists] --><span lang="EN-US">3.<span style="font-variant-numeric: normal; font-variant-east-asian: normal; font-stretch: normal; font-size: 7pt; line-height: normal; font-family: "Times New Roman";">
</span></span><!-- [endif] --><span lang="EN-US">When I set he R_LIBS such as /home/username/OpenBLAS-0.3.9/lib/ libopenblas_nehalemp-r0.3.9.a
(or libopenblas.a), then the error massage is much, including: /home-yw/Soft/OpenBLAS-0.3.9/lib/libopenblas_nehalemp-r0.3.9.a(blas_server.o):
In function `goto_set_num_threads': blas_server.c:(.text+0x7f3): undefined
reference to `pthread_create'.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US">All above relating files were attached.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<p class="MsoNormal"><span lang="EN-US">In addition, are there commands such as lapw0_mpi,
lapw1_mpi and lapw1c_mpi generated by installing with gfortran+OpenBLAS, just
like by installing with ifort?<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<span lang="EN-US" style="font-size:10.5pt;mso-bidi-font-size:11.0pt;font-family:
"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-fareast-font-family:
宋体;mso-fareast-theme-font:minor-fareast;mso-hansi-theme-font:minor-latin;
mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
mso-ansi-language:EN-US;mso-fareast-language:ZH-CN;mso-bidi-language:AR-SA">Looking
forward to your reply.</span></div><div><div><br></div><div><br></div><div style="font-size: 12px;font-family: Arial Narrow;padding:2px 0 2px 0;">------------------ 原始邮件 ------------------</div><div style="font-size: 12px;background:#efefef;padding:8px;"><div><b>发件人:</b> "Gavin Abo"<gsabo@crimson.ua.edu>;</div><div><b>发送时间:</b> 2020年6月3日(星期三) 上午9:13</div><div><b>收件人:</b> "wien"<wien@zeus.theochem.tuwien.ac.at>;<wbr></div><div></div><div><b>主题:</b> Re: [Wien] Wien Installation</div></div><div><br></div>
<p>1. In a terminal, change into your WIEN2k directory: cd $WIENROOT</p>
<p>2. Run: ./siteconfig</p>
<p>3. Select Compiling Options: O</p>
<p>4. Check your R_LIBS line</p>
<p>Your SRC_aim-compile.msg looks like it probably used:
/usr/lib64/libpthread.so</p>
<p>What works for me for R_LIBS is: -L/home/username/OpenBLAS-0.3.9
-lopenblas -llapack_lapw -lpthread</p>
<p>In the above, "/home/username" has to be replaced by the path to
your OpenBLAS.<br>
</p>
<p>The OpenBLAS I'm using is currently version 0.3.9 from:<br>
</p>
<p><a class="moz-txt-link-freetext" href="https://www.openblas.net/">https://www.openblas.net/</a><br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 6/2/2020 4:14 AM, 晨晨 wrote:<br>
</div>
<blockquote type="cite" cite="mid:tencent_75E399767F470BD05A0AC719338568DE7F08@qq.com">
<p class="MsoNormal"><span lang="EN-US">Dear W2k developers and
users,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<p class="MsoNormal"><span lang="EN-US">I am installing wien
version 19.2 on Linux
with gfortran and OpenBlas.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<p class="MsoNormal"><span lang="EN-US">There were many warning
messages in different
compile.msg files of different directories after installing,
so I attached some
of them.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US"> </span></p>
<p class="MsoNormal">
</p>
<p class="MsoNormal"><span lang="EN-US">Sincerely yours Yu Chen</span></p>
</blockquote>
<br>
<blockquote type="cite" cite="mid:tencent_75E399767F470BD05A0AC719338568DE7F08@qq.com">
</blockquote></div>