AMBER Archive (2007)

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

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Mon Aug 13 2007 - 15:46:58 CDT

>
> 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
Andreas
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