Multi-scale Continuum-Particle Simulation on CPU–GPU Hybrid Supercomputer

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AbstractThis chapter serves as an introduction to the supercomputing works carried out at CAS-IPE following the strategy of structural consistency among the physics in the simulated systems, mathematical model, computational software expressing the numerical methods and algorithms, and finally architecture of the computer hardware (Li et al., From multiscale modeling to Meso-science—a chemical engineering perspective, 2012; Li et al., Meso-scale phenomena from compromise—a common challenge, not only for chemical engineering, 2009; Ge et al., Chem Eng Sci 66:4426–4458, 2011). Multi-scale simulation of gas-solid flow in continuum-discrete approaches and molecular dynamics simulation of crystalline silicon are taken as examples, both making full use of CPU-GPU hybrid supercomputers. This strategy is demonstrated to be effective and critical for achieving good scalability and efficiency in such simulations. The software and hardware systems thus designed have found wide applications in process engineering.KeywordsDirect Numerical SimulationMessage Passing InterfaceGlobal MemoryFluid Catalytic CrackDiscrete SimulationThese keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.