A Graphics Processing Unit (GPU) CUDA C and a (Multi-core) OpenMP versions of the Reaction Ensemble Monte Carlo method (REMC) are presented. The REMC algorithm is a powerful tool to investigate the equilibrium behavior of chemically reacting systems in highly non-ideal conditions. Both the GPU and the Multi-core versions of the code are particularly efficient when the total potential energy of the system must be calculated achieving a considerable speed-up. Results, obtained in the case of Helium plasma at high pressure, show dierences between real and ideal cases.
GPU and Multi-core based Reaction Ensemble Monte Carlo Method for non-ideal thermodynamic systems
D'ANGOLA, Antonio;
2014-01-01
Abstract
A Graphics Processing Unit (GPU) CUDA C and a (Multi-core) OpenMP versions of the Reaction Ensemble Monte Carlo method (REMC) are presented. The REMC algorithm is a powerful tool to investigate the equilibrium behavior of chemically reacting systems in highly non-ideal conditions. Both the GPU and the Multi-core versions of the code are particularly efficient when the total potential energy of the system must be calculated achieving a considerable speed-up. Results, obtained in the case of Helium plasma at high pressure, show dierences between real and ideal cases.File in questo prodotto:
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