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. 2019 Feb 28;15(2):e1006830. doi: 10.1371/journal.pcbi.1006830

Table 1. Number of steps per day for the benchmark system.

Approximate number of particles Steps per day sequential kernel Peak performance steps per day parallel kernel Number of threads
250 2.8 × 108 2.6 × 108 4
1000 7.9 × 107 1.2 × 108 7
13000 5.6 × 106 1.7 × 107 11
40000 1.8 × 106 6.3 × 106 11

Number of time steps per day for benchmark system of Sec. Performance using the machine described in Fig 3. In case of the parallelized implementation the peak performance with respect to the number of threads is shown.