A High-Level Approach to Synthesis of High-Performance Codes for Quantum Chemistry

  title={A High-Level Approach to Synthesis of High-Performance Codes for Quantum Chemistry},
  author={Gerald Baumgartner and D. Bernholdt and D. Cociorva and R. Harrison and S. Hirata and Chi-Chung Lam and M. Nooijen and R. Pitzer and J. Ramanujam and P. Sadayappan},
  journal={ACM/IEEE SC 2002 Conference (SC'02)},
This paper discusses an approach to the synthesis of high-performance parallel programs for a class of computations encountered in quantum chemistry and physics. These computations are expressible as a set of tensor contractions and arise in electronic structure modeling. An overview is provided of the synthesis system, that transforms a high-level specification of the computation into high-performance parallel code, tailored to the characteristics of the target architecture. An example from… Expand
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