[Pw_forum] -D__NEW_PUNCH option

Konstantin Kudin konstantin_kudin at yahoo.com
Thu Dec 2 22:07:53 CET 2004

--- Sergey Lisenkov <proffess at yandex.ru> wrote:

> Your solution is exatly the
> same that our admins suggest. So, could you please provide me your
> wrapper for transfer the files to/from scratch. 

 I've e-mailed you separately a pack that contains an example of such a
thing. You'll have to customize it for your system.
> > Alternatively, perhaps, one could modify PWSCF to have 2 locations
> for
> >temporary files. 
> Yes, it is a good idea. 

 It seems like the code could have something like 'wfcdir' in addition
to 'outdir'. If 'wfcdir' is not defined, it defaults to 'outdir'.
Then *.wfc files go to this 'wfcdir', together maybe with *.rho and
*.pot files. Once per geometry step PWSCF could copy *.rho and *.pot
from 'wfcdir' to 'outdir'. This way the NFS traffic is minimized, and
there is always a consistent set of files in 'outdir' useful for
restarting the calculation.


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