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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Haohuan Fu1,2,3, Lin Gan1,2,4,3, Chao Yang5
1Ministry of Education Key Laboratory for Earth System Modeling, and Department of Earth System Science, Tsinghua University, Beijing, China.
This study developed a scalable framework for global atmospheric modeling on heterogeneous supercomputers. The framework efficiently utilizes accelerators like GPUs and FPGAs, achieving significant performance gains and linear scaling on large systems.
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