From: Biff Forbush (biff.forbush_at_yale.edu)
Date: Thu Dec 03 2009 - 20:29:16 CST
Is there an estimate of how much of the total calculation time is taken
by the real space part of non-bonded forces with cpu
alone?....recognizing that this will be machine and problem-size
dependent, is the answer available for benchmark examples?
Axel Kohlmeyer wrote:
> On Wed, 2009-12-02 at 18:00 -0800, Paul Rigor (uci) wrote:
>> Was wondering if there's a break down of the portions of NAMD that
>> currently CUDA accelerated?
> very simple: the calculation of the real space
> part of the non-bonded forces.
>> Paul Rigor
>> Pre-doctoral BIT Fellow and Graduate Student
>> Institute for Genomics and Bioinformatics
>> Donald Bren School of Information and Computer Sciences
>> University of California, Irvine
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