. Author manuscript; available in PMC: 2010 Mar 1.

Published in final edited form as: Parallel Comput. 2009 Mar 1;35(3):164–177. doi: 10.1016/j.parco.2008.12.005

Table 5.

Time profile of GPU-accelerated MSM potential map calculation for 1,534,539 atom system. The overall time with the GT200-based GTX 280 GPU was 20.51 seconds. The long-range part is decomposed into its sequential dependencies.

	Time in seconds	Percentage of total

device setup	0.15	0.73

short-range part (GPU+CPU)	14.87	72.50

anterpolation	0.18	0.88
restriction, levels 0, 1,…,7	0.16	0.78
lattice cutoff (GPU+CPU)	1.36	6.63
prolongation, levels 7, 6,…,1	0.17	0.83
interpolation	3.47	16.92
long-range part (GPU+CPU)	5.34	26.04

summing short- and long-range maps	0.15	0.73