Re: [AMBER] AMBER scaling and Hardware Specs

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Tue, 24 May 2011 21:32:05 -0400

This is complete misinformation and whoever told you this is not correct.
Check the amber web page for many scaling benchmarks including teragrid
machines.

On May 24, 2011 9:15 PM, "Azat Mukhametov" <azatccb.gmail.com> wrote:

Dear Friends,
My question is about scaling of AMBER on multiCPU systems.
I had info, that Amber can not utilise more number of CPUs than are inside
one node, is it right?
For example, was found that AMBER could use not more than 8 CPUs effectively
when there were 8 CPUs per cluster node.
Is this law working for any computer systems - as workstations as clusters?

Also was found that AMBER works awfully on Teragride clusters, on the same
reasons.
May you specify the best parameters and possible speed of MD run on next
systems:
multicore workstations; Teragrid cluster

Additional question. There is possibility to use Amber parameter files with
another MD simulation software, for example NAMD, etc. May you comment, how
perfectly they utilise Amber parameters, and how quality results may be
created by this way?

Thanks!
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Received on Tue May 24 2011 - 19:00:03 PDT
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