[Wien] Error with case.vectorhfup_old

[Gavin Abo]

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 <mailto: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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