Paper Info
Title
Evaluating the Energy Efficiency of OpenCL-accelerated AutoDock Molecular Docking
Abstract
AuTODocK is a molecular docking application that consists of a genetic algorithm coupled with the Solis-Wets local-search method. Despite its wide usage, its power consumption on heterogeneous systems has not been evaluated extensively. In this work, we evaluate the energy efficiency of an OpenCL-accelerated version of AUTODOCK that, along with the traditional SolisWets method, newly incorporates the ADADELTA gradient-based local search. Executions on a Nvidia V100 GPU yielded energy efficiency improvements of up to 297x (Solis-Wets) and 137x (ADADELTA) with respect to the original AUTODOCK baseline.
Year
DOI
Venue
2020
10.1109/PDP50117.2020.00031
2020 28th Euromicro International Conference on Parallel, Distributed and Network-Based Processing (PDP)
Keywords
DocType
ISSN
Energy efficiency,power profiling,OpenCL,molecular docking,AutoDock,gradients
Conference
1066-6192
ISBN
Citations 
PageRank 
978-1-7281-6583-7
0
0.34
References 
Authors
12
4
Name
Order
Citations
PageRank
Leonardo Solis-Vasquez143.30
Diogo Santos-Martins292.89
Andreas Koch315529.56
Stefano Forli4508.80