[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://lists.quantum-espresso.org/pipermail/users/attachments/20081105/a54c82a9/attachment.html>


More information about the users mailing list