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<p>case.vector* files are located into the SCRATCH directory. If you
would like to redefine it for a specific job, you can add the
option "-scratch directory_name" to the run_lapw command (Section
5.1.4 UG).</p>
<p>Best,</p>
<p>William<br>
</p>
<br>
<div class="moz-cite-prefix">Le 31/07/2018 à 20:16, prasad jayasena
a écrit :<br>
</div>
<blockquote type="cite"
cite="mid:1282046469.388073.1533061009378@mail.yahoo.com">
<div>
<div>
<div><span>Dear William
<p><br>
</p>
<p>Thank you. The calculation is running now. Hope it will
finish smoothly</p>
<p><br>
</p>
<p>Is there a way to set this vector files to generate in
the proper place instead of in the working directory?
(Or to set DOS to get the files from working directory?)</p>
</span>
<div><span><span id="ydp134c3cfms-rterangecursor-end"></span></span>Thank
you again for the prompt reply</div>
<div><br>
</div>
<div>Prasad<br>
</div>
</div>
<div><br>
</div>
</div>
<div id="yahoo_quoted_3962360722" class="yahoo_quoted">
<div>
<div> On Tuesday, July 31, 2018, 12:01:33 p.m. CST, William
Lafargue-dit-Hauret
<a class="moz-txt-link-rfc2396E" href="mailto:william.lafargue-dit-hauret@univ-rennes1.fr"><william.lafargue-dit-hauret@univ-rennes1.fr></a> wrote:
</div>
<div><br>
</div>
<div><br>
</div>
<div>
<div id="yiv1148670598">
<div>
<p>Dear Prasad,</p>
<p>case.vectorup/dn must be present in the scratch
directory, not in the working directory.</p>
<p>Best,</p>
<p>William<br>
</p>
<br>
<div class="yiv1148670598moz-cite-prefix">Le
31/07/2018 à 19:55, prasad jayasena a écrit :<br>
</div>
<blockquote type="cite">
<div class="yiv1148670598yqt9639472881"
id="yiv1148670598yqt23763">
<div>
<div>Dear developers and users</div>
<div><br>
</div>
<div>I am using wien2k 17.1 version. I recently
completed scf calculation without any error (<span>runsp_lapw
-p -i 140 -ec 0.00001 -cc 0.0001 -NI)</span>.
<br>
</div>
<div><br>
</div>
<div>Now I tried calculation of DOS. But when I
try <span><b>x lapw2 -p -up -qtl </b></span>I
am getting the following error.</div>
<div><br>
</div>
<div><span> </span>
<pre>running in single mode
forrtl: severe (24): end-of-file during read, unit 10, file /home/scratch/UB-8.5-5000-SCF.vectorup
</pre>
<div>However, in the working directory, there
are two none-empty case. vectorup and
case.vectordn files. I cannot solve this
error. The other thing is, if I did parallel
mode scf calculation I believe it needs to
create several vectorup/dn_x files. But here
it is a single file. <br>
</div>
<div><br>
</div>
<div>Can someone please let me know what is
wrong here.</div>
<div><br>
</div>
<div>Thank you</div>
<div><br>
</div>
<div>Prasad<br>
</div>
</div>
</div>
</div>
<br>
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<pre class="yiv1148670598moz-signature">--
William LAFARGUE-DIT-HAURET
PhD Student
--------------------------------------------------
Institut des Sciences Chimiques de Rennes UMR 6226
Equipe Chimie Théorique Inorganique
Université de Rennes 1 - Campus de Beaulieu
35042 Rennes, France
Building 10B, Desk 211
Phone: +33 (0)2.23.23.57.91
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<pre class="moz-signature" cols="72">--
William LAFARGUE-DIT-HAURET
PhD Student
--------------------------------------------------
Institut des Sciences Chimiques de Rennes UMR 6226
Equipe Chimie Théorique Inorganique
Université de Rennes 1 - Campus de Beaulieu
35042 Rennes, France
Building 10B, Desk 211
Phone: +33 (0)2.23.23.57.91
Email: <a class="moz-txt-link-abbreviated" href="mailto:william.lafargue-dit-hauret@univ-rennes1.fr">william.lafargue-dit-hauret@univ-rennes1.fr</a></pre>
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