Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics
نویسندگان
چکیده
منابع مشابه
591 TFLOPS Multi-trillion Particles Simulation on SuperMUC
Anticipating large-scale molecular dynamics simulations (MD) in nano-fluidics, we conduct performance and scalability studies of an optimized version of the code ls1 mardyn. We present our implementation requiring only 32 Bytes per molecule, which allows us to run the, to our knowledge, largest MD simulation to date. Our optimizations tailored to the Intel Sandy Bridge processor are explained, ...
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