[gmx-users] Improve performance

[Justin Lemkul]

On Sat, Apr 6, 2013 at 9:11 PM, 陈照云 <chenzhaoyun06 at gmail.com> wrote:

> Hi!
>     I have 6 nodes. Each node has two CPUs,12 cores totally.
>     How should I set the options like -rdd,-rcon,-dds,-gcom to improve the
> performance?
>

Those options will have a significantly smaller impact on performance than
other factors like .mdp settings (algorithms used) and system size (number
of atoms).

-Justin

-- 

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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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