GPU heavy models?

From: Michael Di Domenico (
Date: Tue Dec 14 2010 - 08:03:52 CST

Can anyone point me towards a NAMD model that would be a good
candidate for heavy use of GPU both processor/memory and the Compute
node processor/memory?

I have namd installed with the Cuda extenstions and everything seems
to be working okay. I tried running a couple of the example modesl
(f1atpase/stmv) but both seem to use NBFIX which is not supported on
the GPU.

I tried removing the NBFIX parameters, and the models run, but I was
under the impression (i'm not a bio guy) that this invalidates the

I'm looking for something about the size of the stmv model, but will
really stress the GPU's in my boxes.

- Michael

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