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NAMD distributed memory parallel scaling benchmarks performed on satellite tobacco mosaic virus (STMV) in water on leadership supercomputers, Summit, using up to 1024 nodes containing 6144 GPUs (upper panel), and Frontera, using up to 512 CPU-based nodes (lower panel). Two benchmark systems were constructed as a tiled array of a periodic 1.067M-atom system, a 5 × 2 × 2 tiling for 21M atoms (▴), and a 7 × 6 × 5 tiling for 224M atoms (▾).
