RE: AMBER: Any experience on Dell two quad core system?

From: Andreas Svrcek-Seiler <>
Date: Mon, 13 Aug 2007 22:46:58 +0200 (CEST)

> Did you run any explicit solvent simulations with this machine? I am going
> to place an order from DELL to buy 2 Dual Core machines (2 machines),
> after Ross's comment on Dual Quad Core machines, but from your
> comments, it gives almost an 8-fold speed increase.
..This is very problem-specific. I believe your original question was
about implicit solvent simulations (?). Here, NAB+openpm works and scales
very well, at least up to 8 cores. I haven't yet tried AMBER + mpi
and I'm not sure I will in the near future. Therefore I can't say
anything specific about explicit solvent simulations.

good luck
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Received on Wed Aug 15 2007 - 06:07:33 PDT
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