Abstract
This 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.
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Acknowledgments
We thank all members of the EMMS group at IPE for their long term collaboration and support on this work. This work is sponsored by National Natural Science Foundation of China under the Grant no. 20821092, Ministry of Finance under the Grant no. ZDYZ2008-2, Chinese Academy of Sciences under the Grants nos. KGCX2-YW-124 and KGCX2-YW-222. We also thank Nvidia for sponsoring the CUDA Center of Excellence (CCOE) at IPE.
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Ge, W. et al. (2013). Multi-scale Continuum-Particle Simulation on CPU–GPU Hybrid Supercomputer. In: Yuen, D., Wang, L., Chi, X., Johnsson, L., Ge, W., Shi, Y. (eds) GPU Solutions to Multi-scale Problems in Science and Engineering. Lecture Notes in Earth System Sciences. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-16405-7_8
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