Architectural Comparisons for a Quantum Monte Carlo Application
Department of Electrical Engineering and Computer Science, University of Tennessee, Knoxville, Knoxville, USA
Symposium on Application Accelerators in High Performance Computing, 2009 (SAAHPC’09)
@conference{gothandaraman2009architectural,
title={Architectural Comparisons for a Quantum Monte Carlo Application},
author={Gothandaraman, A. and Weber, R. and Peterson, G.D. and Hinde, R.J. and Harrison, R.J.},
booktitle={Symposium on Application Accelerators in High Performance Computing},
year={2009}
}
Recent technological advances have led to a number of emerging platforms such as multi-cores, reconfigurable computing, and graphics processing units. We present a comparative study of multi-cores, field-programmable gate arrays, and graphics processing units for a Quantum Monte Carlo chemistry application. The speedups of these implementations are measured relative to a multi-core implementation and the accuracy of each implementation compared against the double-precision CPU implementation. The Brook+ AMD implementation shows the best overall speedup and accuracy, with the mixed-precision NVIDIA CUDA implementation outperforming the Brook+ implementation for larger atomic clusters with a slightly lower accuracy than the Brook+ and FPGA implementations.
February 23, 2011 by hgpu
