From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Tue Oct 29 2013 - 08:33:42 CDT
> As I've told I have typical desktop with 6 pci/e slots and 1 coreI7 (4
> cores) + 2 GPU + 4 RAM slots (each of 4gb or 8gb I dont remember it now
> clearly :) ). I'd like to launch simulations ( water soluble as well as
> membrane proteins using NAMD with the explicit solvents (50k and 80k atoms
> resp) using both GPUs simultaneously and CPU for one run.
> What another extra modification of my desktop as well as simulation
> parameters should I take into account? Are any other specified drivers
> needed for typical Linux-based multi GPU workstation?
Make sure to pick a motherboard with two 16x speed PCIE ports. (Probably
PCIE 3.0?). Personally I don't think you will see the scaling you desire.
I.e., the GPUs will be underutilized. But then again, YMMV. Just remember,
NAMD is very memory bandwidth hungry.
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