From: Thomas Albers (talbers_at_binghamton.edu)
Date: Sun Sep 16 2012 - 14:54:49 CDT
> I'm curious what kind of performance I should expect from a M2090 card
> (Intel Xeon X5670, CentOS 5.8). With 1 CPU and 1GPU, I get 0.11 s/step
> on Apoa1 (2000 steps, timestep 1) using the namd2.9 multicore CUDA
> binary from the NAMD website. I suspect this is a reasonable speed.
On a setup with Phenom II x4, AMD 970 chipset and GTX 460 graphics card
we are seeing 0.061 s/step for the ApoA1 benchmark. That's with energy
and pressure output every 100 steps.
Your system appears slightly slow - the setups should be comparable. We
had an issue with the distribution of processes on the GPU, which
changed between NAMD 2.8 and 2.9 (see my posts to the mailing list in
early April), where we found that with NAMD 2.9 we had to say "+devices
0,0,0,0" to reproduce the speed seen with NAMD 2.8.
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