Abstract
In this paper, we report on the efficiency of parallelization for atomistic-level large-scale simulations. Tight-binding and ab-initio molecular dynamics simulations are carried out on a supercomputer HITAC S-3800/380 and on a parallel computer HITAC SR2201. We compare the efficiencies of the two different machines based on large scale simulations to investigate advantages and disadvantages of parallel architecture.
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Mizuseki, H. et al. (1997). Efficiency of parallel machine for large-scale simulation in computational physics. In: Polychronopoulos, C., Joe, K., Araki, K., Amamiya, M. (eds) High Performance Computing. ISHPC 1997. Lecture Notes in Computer Science, vol 1336. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0024233
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DOI: https://doi.org/10.1007/BFb0024233
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