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Benchmark of the LAMMPS code on CRESCO and SUMMIT HPC systems

Publication Type
Book Chapter
Publication Date
Page Numbers
225 to 230
Publisher Name
Publisher Location
Rome, Italy

In this work we present the benchmark results of a numerical model where the solid Deuterium grows under gas pressure. The two-phase molecular Deuterium systems (gas + solid) is modeled using classical molecular dynamics approach and the LAMMPS code. The performance between different modern supercomputers are analyzed and compared. In addition, the numerical simulations reach high accuracy to produce results that match with the data collected through laboratory experiments.