[Wien] Error with case.vectorhfup_old

[Pascal BOULET]

Dear Oleg,

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.

Thank you
Pascal

Oleg Rubel <orubel at lakeheadu.ca> wrote:Looking into a definition file can help to narrow down the problem:
$ echo $SCRATCH$ cat lapw1.def$ cat hf.def
in *def files you should see the vector files appended with a path to scratch.
Oleg

On Tue, Apr 1, 2014 at 1:18 PM, pascal boulet <pascal.boulet at univ-amu.fr> wrote:
Dear all,

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.

In my configuration, the calculations are performed in the "/scratch/WIEN2K/case" directory but the vector files are stored in the "/scratch/WIEN2k" one.

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.

Thank you for your help.
Best regards
Pascal

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>-----------------
Pascal Boulet
Aix-Marseille University 
MADIREL Laboratory
Avenue Normandie-Niemen
13397 Marseille Cedex 20
Email: pascal.boulet at univ-amu.fr
Tel. +33 413 55 18 10
Fax  +33 413 55 18 50
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