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. Author manuscript; available in PMC: 2013 Jul 10.
Published in final edited form as: J Chem Theory Comput. 2012 Jun 15;8(7):2521–2530. doi: 10.1021/ct3003089

Figure 4.

Figure 4

Simulation speed, in seconds/time step, for the 1IR2 benchmark system on 0-4 GPUs and 1-32 CPU cores; speeds for in vacuo (red), GB (green) and GB/SA (blue) calculations are shown. Both the seconds/step and processor cores axes are logarithmic.