<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 <orubel@lakeheadu.ca> 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 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>_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
<br></blockquote></div><br></div></div>
<pre style="font-size:13px;">_______________________________________________<br>Wien mailing list<br><a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>SEARCH the MAILING-LIST at: <br><a href="http://www.mail-archive.com" target="_blank">http://www.mail-archive.com</a>/<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>/index.html<br></pre></blockquote></div><br><br><div style="font-family:Arial; color:#000000; font-size:10px;"><font size="2"><font size="1"></font><br>>-----------------<br>Pascal Boulet<br>Aix-Marseille University <br>MADIREL Laboratory<br>Avenue Normandie-Niemen
<br>13397 Marseille Cedex 20
<br>Email: pascal.boulet@univ-amu.fr
<br>Tel. +33 413 55 18 10
<br>Fax +33 413 55 18 50</font><br><br></div></div>