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. 2016 Feb 8;12(3):1207–1219. doi: 10.1021/acs.jctc.5b01148

Figure 7.

Figure 7

Parallel performance of the overlap code for a selenoacroleine MR-CISD(6,5) computation requiring the evaluation of 6.7 × 1012 Slater determinant overlaps: (a) speedup from 1 to 32 cores and (b) computation times for the different steps as discussed in the text.