NAMD, a widely used parallel molecular dynamics simulation engine, was one of the first CUDA-accelerated applications. Throughout the early evolution of CUDA support in NAMD, NVIDIA GPUs and CUDA grew tremendously in both performance and capabilities. For more information, see Accelerating Molecular Modeling Applications with Graphics Processors and Adapting a Message-driven Parallel Application…
]]>HPC looks very different today than it did when I was a graduate student in the mid-90s. Today’s supercomputers are many orders of magnitude faster than the machines of the 90s, and GPUs have helped push arithmetic performance on several leading systems to stratospheric levels. Unfortunately, the arithmetic performance wrought by two decades of supercomputer design has created tremendous I/
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