I have a little project that might be of some interest for researchers here.
Let me introduce myself first : I am a french master student in chemistry in Paris' Diderot University and we lack a good supercalculating infrastructure which would be versatile enough to be used daily.
So discussing on the web and around me as well I (we !) found the following idea doable: To create a cheap supercalculating device that would be accessible by SSH to send calculations onto it. The location of the computer would be home.
I order to achieve this I made some investigations on the subject. Fist I really found CUDA as being of great interest.
But, the only program I've found to do quantum chemistry is Petachem wich to work only on special graphic cards Tesla (and they are not cheap nor petachem is).
I wonder if gaussian on linux could adapted to provide the same but on a cheaper Nvidia graphic card.
I still lack of knowledge on the system's architecture. I think linux would be valuable as they are examples of domestic clusters done with it. Then that would afford a great evolution capabilities to the overall platform.
The aim of this message is to build a (ambitious) little project and provide a way for all chemist to do fast complex calculations for less than 3K€. Thus I think the little time invested will be profitable for everyone.
So if any ideas come up... ;-)
The goal is to do fast calculations on > 1K g/mol with metallic centers / metallated-porphyrin based arrays.
PS: I apologize about my definitely bad skills as english writer ;-).