Accelerating Energy Minimization using Graphics Processors

Bharat Sukhwani, Martin C. Herbordt
Department of Electrical and Computer Engineering, Boston University
Symposium on Application Accelerators in High Performance Computing, 2009 (SAAHPC’09)


   title={Accelerating Energy Minimization using Graphics Processors},

   author={Sukhwani, B. and Herbordt, M.C.},

   booktitle={Symposium on Application Accelerators in High Performance Computing, SAAHPC},



Download Download (PDF)   View View   Source Source   



Energy minimization is an important step in molecular modeling, with applications in molecular docking and in mapping binding sites. Minimization involves repeated evaluation of various bonded and non-bonded energies of a protein complex. It is a computationally expensive process, with runtimes typically being many hours on a desktop system. In the current article, we present the acceleration of the energy evaluation phase of minimization on a graphics processor, resulting in an 11x total speedup compared with a single core of a desktop machine.
No votes yet.
Please wait...

* * *

* * *

HGPU group © 2010-2021 hgpu.org

All rights belong to the respective authors

Contact us: