On Tue, Apr 9, 2013 at 12:21 PM, Andrew DeYoung adeyo...@andrew.cmu.eduwrote:
Thank you, Justin. This is very helpful to me, especially the link to the
GPU conference, which I think will be very helpful.
I have done a little benchmarking on our ~7000 atom system, and in those
tests the scaling was excellent -- almost linear when comparing 4, 8, 12,
16, 24 CPUs. I am using particle decomposition, though; the results might
be different with domain decomposition, I guess.
Yes, DD should be much faster than PD.
-Justin
--
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540)
231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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