[Pw_forum] memory problem

[Prasenjit Ghosh]

> 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.


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