Hi!
We are indeed thinking of GPGPU at least for desktop supercomputer-type (not grid-enabled) computing for the moment.
As a matter of fact, our reserach group is working on accelerating Q-Chem using GPGPUs (We have ~10-20X speedup right now). The Karplus group is also working on accelerating CHARMM with GPGPU.
In principle, in the near future these GPGPU codes could be grid-enabled as they become available. At the moment, our Q-Chem port is still in beta, and it would take a while to stabilize.
You can see the abstract of our GPGPU publication here:
http://pubs.acs.org/doi/abs/10.1021/jp0776762
- The Clean Energy Project team
Originally Posted by cleanenergy
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