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<div class="moz-cite-prefix">The problem that you are seeing for
your spin polarized case is probably the same as was previously
reported for a non-spin polarized case:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09890.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09890.html</a><br>
<br>
On 4/1/2014 1:03 PM, Pascal BOULET wrote:<br>
</div>
<blockquote
cite="mid:44776041.27998.1396379007256.JavaMail.root@bureau-frontal3.univ-amu.fr"
type="cite">
<div style="font-family:Arial; color:#000000; font-size:10px;"><br>
<font size="2">Dear Oleg,<br>
<br>
Yes, you are right: the scratch path is appended. So I do not
understand what's going on. I'm going to set the scratch
directory as the working directory.<br>
<br>
Thank you<br>
Pascal<br>
<br>
</font><br>
<div>Oleg Rubel <a class="moz-txt-link-rfc2396E" href="mailto:orubel@lakeheadu.ca"><orubel@lakeheadu.ca></a> wrote:
<blockquote type="cite"
cite="<CAObUQaia1Rax6f08iLdO630CdUD12JZc5=HwcOaZyLKFEaPXQw@mail.gmail.com>">
<div dir="ltr">
<div>Looking into a definition file can help to narrow
down the problem:</div>
<div><br>
</div>
<div>$ echo $SCRATCH</div>
<div>$ cat lapw1.def</div>
<div>$ cat hf.def</div>
<div><br>
</div>
<div>in *def files you should see the vector files
appended with a path to scratch.</div>
<div><br>
</div>
<div>Oleg</div>
<div><br>
</div>
<div><br>
</div>
<div class="gmail_extra">
<br>
<br>
<div class="gmail_quote">On Tue, Apr 1, 2014 at 1:18 PM,
pascal boulet <span dir="ltr"><<a
moz-do-not-send="true"
href="mailto:pascal.boulet@univ-amu.fr"
target="_blank">pascal.boulet@univ-amu.fr</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0px 0px
0px
0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">Dear
all,<br>
<br>
I am facing a problem while performing an EXX
calculation. I have followed the manual section
4.5.8 so I think the input files are OK. The problem
arises when starting the HF calculation. The
case.vectorhfup_old file is not found.<br>
<br>
In my configuration, the calculations are performed
in the "/scratch/WIEN2K/case" directory but the
vector files are stored in the "/scratch/WIEN2k"
one.<br>
<br>
I have noticed that in runsp_lapw, in the various
"sections" dealing with the -hf option, the
variable $scratch is not invoked before the various
case.vectorXXXX files. So I was wondering if the
problem was there or not.<br>
<br>
Thank you for your help.<br>
Best regards<span class=""><font color="#888888"><br>
Pascal<br>
<br>
</font></span><br>
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<br>
<br>
<div style="font-family:Arial; color:#000000; font-size:10px;"><font
size="2"><br>
>-----------------<br>
Pascal Boulet<br>
Aix-Marseille University <br>
MADIREL Laboratory<br>
Avenue Normandie-Niemen
<br>
13397 Marseille Cedex 20
<br>
Email: <a class="moz-txt-link-abbreviated" href="mailto:pascal.boulet@univ-amu.fr">pascal.boulet@univ-amu.fr</a>
<br>
Tel. +33 413 55 18 10
<br>
Fax +33 413 55 18 50</font><br>
<br>
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