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. Author manuscript; available in PMC: 2014 Jan 8.
Published in final edited form as: J Chem Theory Comput. 2012 Oct 18;9(1):461–469. doi: 10.1021/ct300857j

Table 2.

Performance of benchmark simulations run on 1 to 4 Nvidia C2070 GPUs. Results are in ns/day.

1 GPU 2 GPUs 3 GPUs 4 GPUs
Explicit-RF, H-bonds 25.9 (1.0) 40.2 (1.55) 48.5 (1.87) 52.3 (2.02)
Explicit-RF, H-angles 47.6 (1.0) 69.4 (1.46) 80.8 (1.70) 87.9 (1.85)
Explicit-PME, H-bonds 16.5 (1.0) 27.1 (1.64) 30.1 (1.83) 29.8 (1.81)
Explicit-PME, H-angles 30.9 (1.0) 49.7 (1.61) 55.5 (1.80) 54.9 (1.78)

The value in parentheses is the speedup relative to a single GPU.