NAMD with CUDA Status ?

From: David McGiven (
Date: Mon Nov 24 2008 - 11:06:05 CST

Dear NAMD Users and Developers,

First of all, thanks for providing the scientific community with NAMD.
It's such a great software. We use it intensively in our SGI Altix

Now we are interested in using NAMD with NVidia GPU's so we can get our
results much more faster than with our Intel Itanium2 cluster.

I've seen NVIDA sells 1U Tesla servers to do that, and that you can also
buy GeForce or Quadro FX cards and assemble your own supercomputer.

However, I still don't understand if NAMD is able to run CUDA enabled.
I have found the webpage :

You can find CUDA-enabled VMD versions, but only one NAMD :

 NAMD CUDA binaries and test data (not for production runs) NAMD/VMD,
 CUDA 1.0, interactive molecular dynamics demo (includes 32-bit and
 64-bit NAMD binaries)

Are we going to see NAMD with official CUDA support ready for production
anytime soon ?

I'm afraid of buying the expensive hardware and find that NAMD is unable
to run.

Thanks in advance.

Best Regards,
David McGiven

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