[Wien] Error with case.vectorhfup_old

[Pascal BOULET]

Thank you Gavin. In spite of my search on the mailing-list I didn't manage to spot the answer.

Regards
Pascal

Gavin Abo <gsabo at crimson.ua.edu> wrote:    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:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09890.html

      On 4/1/2014 1:03 PM, Pascal BOULET wrote:

        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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>-----------------
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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