[Pw_forum] memory problem
Prasenjit Ghosh
prasenjit.jnc at gmail.com
Wed Nov 5 10:22:02 CET 2008
> 507.1 Mb was the memory required at the beginning of one of the scf
> cycles.
> > Then the job was exited because the calculation time was over.......Then
> > I restart the calculation and the memory requirement jumps to 1867.8 Mb
>
> so there is something strange when restarting.
>
Yes, but what is it? Can you please suggest some possible things to check
at??
>
> > Do you mean that from one scf cycle to another scf cycle, the memory can
> > increase while for different scf steps in an scf cycle it should take
> > more or less the same max. memory??
>
> it depends on what you call a "cycle" and what you call a "step" ...
> Anyway: actually the memory needed by self-consistency is allocated
> at the beginning of the scf calculation, not during it, so the
> allocated memory should never increase
> -
>
So why does it increase??
Prasenjit.
--
PRASENJIT GHOSH,
POST-DOC,
ROOM NO: 265, MAIN BUILDING,
CM SECTION, ICTP,
STRADA COSTERIA 11,
TRIESTE, 34104,
ITALY
PHONE: +39 040 2240 369 (O)
+39 3807528672 (M)
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081105/a54c82a9/attachment.htm
More information about the Pw_forum
mailing list