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 4. The flow of the PIPER program. Light green boxes are on the CPU, dark green boxes are on the GPU, and light blue boxes are being moved to the GPU in the current work.