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<p>Just a short note concerning the recent openmp problem ...<br>
</p>
<p><br>
</p>
<p>There is a new one-api version published now which does not
contain that bug anymore (online repositories). Compilation runs
fine without setting that extra flag now.<br>
</p>
<table id="download-info-box" class="">
<tbody>
<tr id="version-box">
<td class="download-info-box-left">Version</td>
<td id="irc-download-version" class="download-info-box-right">2024.2.0</td>
</tr>
<tr id="date-box">
<td class="download-info-box-left">Date</td>
<td id="irc-download-builddate"
class="download-info-box-right">June 18, 2024</td>
</tr>
</tbody>
</table>
<p><br>
</p>
<p>Best regards,</p>
<p>Michael<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">Am 28.05.2024 um 07:13 schrieb 夏宇阳:<br>
</div>
<blockquote type="cite"
cite="mid:1433559050.2332414.1716873180549.JavaMail.zimbra@sjtu.edu.cn">
<pre class="moz-quote-pre" wrap="">Thank you, all problems have been solved.
The key is to find the location of the omp_lib.mod. In the most recent ONEAPI, you should add the flag -I/opt/intel/oneapi/2024.1/opt/compiler/include/intel64 to the compiler options.
Best wishes!
Xiayuyang
----- 原始邮件 -----
发件人: "Peter Blaha" <a class="moz-txt-link-rfc2396E"
href="mailto:peter.blaha@tuwien.ac.at"><peter.blaha@tuwien.ac.at></a>
收件人: "wien" <a class="moz-txt-link-rfc2396E"
href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a>
发送时间: 星期二, 2024年 5 月 28日 上午 4:53:15
主题: Re: [Wien] WIen2k install using Oneapi
Seems to be a problem with the most recent ONEAPI. The include path for
the compiler should be automatically set properly when you source the
compilervars.sh files.
Try to define an additional include path:
O Compiler options: -O -FR -mpl -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include -I$(IFORTROOT)/linux/compiler/include/intel64
Please check, if in your oneapi the IFORTROOT variable is set and the
filestructure is still identical to mine.
I do have a omp_lib.mod in the include path.
Am 27.05.2024 um 20:19 schrieb 夏宇阳:
</pre>
<blockquote type="cite">
<pre class="moz-quote-pre" wrap="">mstar.f90(57): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [OMP_LIB]
USE OMP_LIB
----^
sumpara.F(4): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [OMP_LIB]
use omp_lib
----------^
sumpara.F(407): error #6363: The intrinsic data types of the arguments must be the same. [MAX]
BUFSIZE=MAX(NKKVL/OMP_GET_NUM_THREADS()+1, 1000)
-------------------------------------------------^
Three errors still exists in compile.msg.
It seems that we need omp_lib.module. What is that? And how can we get it?
Best wishes!
--
</pre>
</blockquote>
<pre class="moz-quote-pre" wrap="">-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated moz-txt-link-freetext"
href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>
WWW: <a class="moz-txt-link-freetext"
href="http://www.imc.tuwien.ac.at">http://www.imc.tuwien.ac.at</a> WIEN2k: <a
class="moz-txt-link-freetext" href="http://www.wien2k.at">http://www.wien2k.at</a>
-------------------------------------------------------------------------
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</pre>
</blockquote>
<pre class="moz-signature" cols="72">--
Dr. Michael Fechtelkord
Institut für Geologie, Mineralogie und Geophysik
Ruhr-Universität Bochum
Universitätsstr. 150
D-44780 Bochum
Phone: +49 (234) 32-24380
Fax: +49 (234) 32-04380
Email: <a class="moz-txt-link-abbreviated moz-txt-link-freetext"
href="mailto:Michael.Fechtelkord@ruhr-uni-bochum.de">Michael.Fechtelkord@ruhr-uni-bochum.de</a>
Web Page: <a class="moz-txt-link-freetext"
href="https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/">https://www.ruhr-uni-bochum.de/kristallographie/kc/mitarbeiter/fechtelkord/</a>
</pre>
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