GPU Optimizations for a Production Molecular Docking Code

. Author manuscript; available in PMC: 2015 Nov 19.

Published in final edited form as: IEEE Conf High Perform Extreme Comput. 2014 Sep;2014:10.1109/HPEC.2014.7040981. doi: 10.1109/HPEC.2014.7040981

Figure 8. GPU runtime improvement with bar segments separating the different computations. Prior to the CPU idle time optimizations, the correlation time was actually hidden by the memory transfer time, as it was larger.