Can OpenMM Zephyr support dual GPU cards?

OpenMM Zephyr provides a visual application for running GPU-accelerated molecular simulations.
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Brian Geiss
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Joined: Thu Dec 30, 2010 8:19 am

Can OpenMM Zephyr support dual GPU cards?

Post by Brian Geiss » Sun Jan 02, 2011 4:14 pm

I'm fairly new to OpenMM Zephyr, and have been testing it out on my MacBook Pro with GPU processing (NVIDIA 9600M, 32 CUDA cores). It seems to be working with short time scale simulations (1 ns), but I need more horsepower to get the timescales I want in a reasonable amount of time (~100 nsec @ 0.002 ps timesteps would take ~550hrs on my MacBook Pro). I'm thinking of adding a NVIDIA GeForce 580 GTX card (512 cores) to a PC in my lab to get a boost, and I was wondering if Zephyr can use two cards at the same time (totaling 1024 cores) or will it only utilize one device at a time?

Thanks for any help you can provide!

-Brian
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Joy Ku
Posts: 80
Joined: Tue Oct 02, 2007 5:22 pm

RE: Can OpenMM Zephyr support dual GPU cards?

Post by Joy Ku » Mon Jan 03, 2011 12:33 pm

Zephyr only supports running on 1 GPU at a time. This is the way the OpenMM library (upon which Zephyr is built) currently operates, but there are plans to support multiple GPUs in the future.

Joy
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