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<span lang="EN-US">1. Are the
following commands the same:</span>
<blockquote type="cite"
cite="mid:CAOFFwJ7KS0X41WtQ1n63OMsAkghE3fXG_VMoWzifKSfiK9Y3gA@mail.gmail.com">
<div dir="rtl">
<p class="gmail-MsoListParagraphCxSpFirst"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US">export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/OpenBLAS-0.3.23</span></p>
<p class="gmail-MsoListParagraphCxSpFirst"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US"><br>
</span></p>
<p class="gmail-MsoListParagraphCxSpLast"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US">export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/home/username/OpenBLAS</span></p>
</div>
</blockquote>
<p><br>
</p>
<p>No, usually not. The openblas needs to be installed by you (see
the instructions by Gavin). You install it into a particular
directory and you have to use exactly this name later on.</p>
<p><br>
</p>
<blockquote type="cite"
cite="mid:CAOFFwJ7KS0X41WtQ1n63OMsAkghE3fXG_VMoWzifKSfiK9Y3gA@mail.gmail.com">
<div dir="rtl">
<p class="MsoNormal" style="text-align:left;margin:0cm 0cm
8pt;line-height:107%;font-size:12pt;font-family:"Times
New Roman",serif" dir="ltr"><span lang="EN-US"> </span></p>
<p class="MsoNormal" style="text-align:left;margin:0cm 0cm
8pt;line-height:107%;font-size:12pt;font-family:"Times
New Roman",serif" dir="ltr"><span lang="EN-US">2. Gavin
suggested: “</span><span style="line-height:107%">FC =
mpifort -fallow-argument-mismatch</span><span
style="line-height:107%" lang="EN-US">”, b</span><span
style="line-height:107%">ut the default
in my computer is “mpif90”. </span><span
style="line-height:107%" lang="EN-US">Does it matter ?</span><span
lang="EN-US"></span></p>
</div>
</blockquote>
<p>This may depend on your mpi version. Test it out. Type:</p>
<p>mpifort or</p>
<p>mpif90</p>
<p>Does it find both commands ? Type:</p>
<p>which mpifort</p>
<p>which mpif90</p>
<p>and do an ls -als "path_as_given_above" to see if they are
just a link to each other.</p>
<p><br>
</p>
<p><br>
</p>
<blockquote type="cite"
cite="mid:CAOFFwJ7KS0X41WtQ1n63OMsAkghE3fXG_VMoWzifKSfiK9Y3gA@mail.gmail.com">
<div dir="rtl">
<p class="gmail-MsoListParagraphCxSpFirst"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US"> </span></p>
<p class="gmail-MsoListParagraphCxSpMiddle"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US">3.
Site configuration for Wien2k: Shall I use “ ./siteconfig”
(Gavin suggestion) or use “./siteconfig_lapw” (Wien2k
manual)?</span></p>
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</blockquote>
<p>Come on ! As a user of wien2k you should know that ALL
wien2k-shell scripts have long names</p>
<p>"command_lapw" as well as short ones "command".</p>
<p>So siteconfig or siteconfig_lapw is the same, as is x or
x_lapw, run or run_lapw, ....</p>
<p><br>
</p>
<p><br>
</p>
<blockquote type="cite"
cite="mid:CAOFFwJ7KS0X41WtQ1n63OMsAkghE3fXG_VMoWzifKSfiK9Y3gA@mail.gmail.com">
<div dir="rtl">
<p class="gmail-MsoListParagraphCxSpMiddle"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US">I have to admit that
part is confusing. </span></p>
<p class="gmail-MsoListParagraphCxSpMiddle"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US"> </span></p>
<p class="gmail-MsoListParagraphCxSpMiddle"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US">Best
regards,</span></p>
<p class="gmail-MsoListParagraphCxSpLast"
style="text-align:left;margin:0cm;line-height:normal;font-size:11pt;font-family:Arial,sans-serif"
dir="ltr"><span style="font-size:12pt;font-family:"Times
New Roman",serif" lang="EN-US">Victor
Zenou</span></p>
</div>
<br>
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</blockquote>
<pre class="moz-signature" cols="72">--
-----------------------------------------------------------------------
Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: <a class="moz-txt-link-abbreviated" href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>
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