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I ran a simulation on the DataStar cluster in San Diego, and in 4hrs (wall clock), it accomplished
49 time steps (1fs/TS). I also ran a job on a windows desktop machine, which accomplished 10000
Time steps (of the same minimization) in about 15 hours.
Is it normal for the TeraGrid to take that long or are erroneous inputs making it inefficient?
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: Wed Feb 29 2012 - 15:43:52 CST