[Pw_forum] how does the quantum espresso scale with increasing the number of nodes.

[vicky singh]

Dear prof Giannozzi

sorry to disturb you but i want to ask one question. the same work raran QE
simulation with 40 atoms with 8 nodes and 12 nodes. the system got relaxed
in 2 days 11 hrs with 8 nodes but it could nod relax even in 3 days with 12
nodes. even it got relaxed with 16 nodes in 2 days 11 hrs but not relax in 6
days with 32 nodes.

can u help me out.

with regards


vicky singh
research student
Bangalore



On Tue, Jul 20, 2010 at 1:17 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> vicky singh wrote:
>
> > Can anybody let me know how does the quantum espresso scale with
> > increasing the number of nodes or number of processors.
>
> short answer: it depends. Please read the documentation, in
> particular sec.3 of the userguide; sec.5 of J.Phys. Condens.
> Matter 21, 395502 (2009); the following slides:
> http://www.fisica.uniud.it/~giannozz/QE-Tutorial/tutorial_para.pdf<http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/tutorial_para.pdf>
>
> P.
> --
> Paolo Giannozzi, Democritos and University of Udine, Italy
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