Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models

@article{Baumgartner2005SynthesisOH,
  title={Synthesis of High-Performance Parallel Programs for a Class of ab Initio Quantum Chemistry Models},
  author={Gerald Baumgartner and A. Auer and D. Bernholdt and Alina Bibireata and Venkatesh Choppella and D. Cociorva and X. Gao and R. Harrison and S. Hirata and S. Krishnamoorthy and S. Krishnan and Chi-Chung Lam and Q. Lu and M. Nooijen and R. Pitzer and J. Ramanujam and P. Sadayappan and A. Sibiryakov},
  journal={Proceedings of the IEEE},
  year={2005},
  volume={93},
  pages={276-292}
}
This paper provides an overview of a program synthesis system for a class of quantum chemistry computations. These computations are expressible as a set of tensor contractions and arise in electronic structure modeling. The input to the system is a a high-level specification of the computation, from which the system can synthesize high-performance parallel code tailored to the characteristics of the target architecture. Several components of the synthesis system are described, focusing on… Expand
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References

SHOWING 1-10 OF 100 REFERENCES
Optimization of a Class of Multi-Dimensional Integrals on Parallel Machines
General atomic and molecular electronic structure system
Space-time trade-off optimization for a class of electronic structure calculations
Data Locality Optimization for Synthesis of Efficient Out-of-Core Algorithms
High-level semantic optimization of numerical codes
Global communication optimization for tensor contraction expressions under memory constraints
Automatically Tuned Linear Algebra Software
...
1
2
3
4
5
...