[Pw_forum] Plane waves parallelization

Hanyu ouuing at gmail.com
Mon Apr 5 03:53:14 CEST 2010

Generally, it is not necessary to use many k point for so many atoms.
I think it is enough to use K_points 1x1x1.

On Sun, Apr 4, 2010 at 9:18 PM, Dimpy Sharma <dimpy.sharma at tyndall.ie> wrote:
> Hi Quantum espresso users,
> I was trying to run a scf calculation for my system (518 atoms), I used 100
> nodes to simulate the system however it crashed after 3 iterations without
> any error message (consumed 883MB).I used K_Points 2x1x1.
>  From the user guide , I was reading the parallelism in quantum espresso,I
> could not follow "pools" and plane wave parallelization, and how to do the
> K_Point sampling in mpi parallelization for my system.
> Thanks and regards!
> Dimpy
> Msc(Nanotechnology)
> PhD
> UCC,Ireland
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 Hanyu Liu(刘寒雨),
 State key  Laboratory of Superhard Materials, Jilin University, China
 Email: liuhanyu08 at mails.jlu.edu.cn    ouuing at gmail.com

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