DCA++: A case for science driven application development for leadership computing platforms

Abstract

The DCA++ code was one of the early science applications that ran on jaguar at the National Center for Computational Sciences, and the first application code to sustain a petaflop/s under production conditions on a general-purpose supercomputer. The code implements a quantum cluster method with a Quantum Monte Carlo kernel to solve the 2D Hubbard model for high-temperature superconductivity. It is implemented in C++, making heavy use of the generic programming model. In this paper, we discuss how this code was developed, reaching scalability and high efficiency on the world's fastest supercomputer in only a few years. We show how the use of generic concepts combined with systematic refactoring of codes is a better strategy for computational sciences than a comprehensive upfront design. © 2009 IOP Publishing Ltd.