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. Author manuscript; available in PMC: 2015 Oct 26.
Published in final edited form as: J Chem Theory Comput. 2014 Feb 28;10(4):1638–1651. doi: 10.1021/ct401096t

Figure 5.

Figure 5

Parallel scaling of the computation of the forces associated to the polarization energy for the S1, S2 and S3 systems using a separate group of processes to compute the reciprocal space contribution. Notice that negligible performance gains were observed for S1 and S2 when increasing the number of threads beyond 256.