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A PARALLELIZATION CASE-STUDY OF MD SIMULATION OF A LOW DENSITY PHYSICAL SYSTEM

    A case study on the parallelization of a classical molecular dynamics code for simulating the formation of carbon clusters is presented. Parallelization is based on the domain decomposition method, as the Tersoff potentials used are short-range. However, at low particle densities, high-performance parallel execution of MD simulations is quite difficult. Methods for improving the performance achieved by parallelization of low density MD simulations are discussed and initial results for a low density system are presented.

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