Benchmarks for GTX 690's and 590's

From: Dr. Eddie (eackad_at_gmail.com)
Date: Sun Nov 25 2012 - 11:41:46 CST

Hi all,
I you are interested I have some benchmarks of namd 2.9 on nvidia gtx 690's
and 590's:

The gtx 690's are two video cards per node (thus 4 gpu's per node) on a
dual 16-core AMD processor board (thus 32 cores). for 19777 particles I get:

Info: Benchmark time: 20 CPUs 0.00808809 s/step 0.0936121 days/ns 223.324
MB memory

16 cpu's
Info: Benchmark time: 16 CPUs 0.00663649 s/step 0.0768112 days/ns 206.988
MB memory

This compares with namd 2.8 on a dual 12-core system with a gtx 590:
Info: Benchmark time: 12 CPUs 0.0314254 s/step 0.363719 days/ns 17.9045 MB
memory

This compares with namd 2.8 on a dual 12-core system with a gtx 590 and a
gtx 580 (3 gpu's):
Info: Benchmark time: 12 CPUs 0.0216837 s/step 0.250969 days/ns 17.9739 MB
memory

It seems after 3 gpu's, 4 cpu's per gpu seems to be optimum.
I had tested namd 2.8 with other cpu numbers and 12 always was best. I
don't know if it is something about exceeding the number of cores on a
physical processor or something else.

Hope this helps!
Eddie

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