[Pw_forum] (no subject)

[mike at.]

On Wed, Sep 7, 2011 at 7:12 PM, Xijun Wang <xijunw at gmail.com> wrote:

>
>
> PS: I highly suggest you start from small K_POINTS, 4*4*4 is too
> large, so you need quite a lot of memories. It may crash if memory
> could not be allocated to the calculation. What's your hardware
> configuration (Linux desktop or cluster? How much memory available? )
>
> The work is being done on a pair of sun x2270   calculation nodes, eight
physical cores per node with hyperthreading,  and 8 GB of memory per node ,
running CentOS.




> Xijun
>
>
> On Wed, Sep 7, 2011 at 7:57 AM, Winfred Mulwa <mulwawinfred at gmail.com>
> wrote:
> >   Dear all,
> >
> >         I have tried doing a vc-relax on the attached TiO2 rutile
> supercell,
> > but the calculations stop after a few seconds without
> > giving any error.  What might be the problem?
> >
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>
>
>
> --
> Department of Chemistry and Biochemistry, Concordia University
> 7141 Sherbrooke Ouest, Montreal, QC H4B 1R6
> Tel: 514-848-2424-#5835 (Lab) TA office: SP175.23
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-- 
M. O. ATAMBO
mikeat4999 at gmail.com
student, computational material science group
Chepkoilel university college.
Department of Physics
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