MD { A Flexible Framework for High - SpeedParallel Molecular
نویسندگان
چکیده
This paper introduces MD, a complete high-performance parallel molecular dynamics simulation system. MD eeciently manages the control and data ow required for the basic molecular dynamics calculations as well as for global statistics and scientiic visualization. We brieey examine the structure of MD, present an analysis of its performance for several physical systems, and examine ways in which it can extended.
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