[Beowulf] Intro question
Bogdan.Costescu at iwr.uni-heidelberg.de
Mon Dec 8 09:11:04 EST 2008
On Fri, 5 Dec 2008, Lux, James P wrote:
> Now consider using that nifty compchem box to go examine thousands
> of possible drugs.
I don't think that this is the main purpose of the DEShaw machine.
Thousands of independent trials can be done today with thousands of
machines: f.e. one trial per machine, much like Monte Carlo
calculations. Machines like the DEShaw one are useful in 2 cases:
- simulating a much larger system, getting to the point of simulating
whole cells or at least mitochondria
- simulating a much longer period of simulated time in the same real
time, as processes of biological interest happen on timescales that
are many orders of magnitude larger than what can be currently simulated.
In each of these cases there is only one simulation running - a very
fine grained one...
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E-mail: bogdan.costescu at iwr.uni-heidelberg.de
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