TY - JOUR
T1 - Synthesis of high-performance parallel programs for a class of Ab Initio quantum chemistry models
AU - Baumgartner, Gerald
AU - Auer, Alexander
AU - Bernholdt, David E.
AU - Bibireata, Alina
AU - Choppella, Venkatesh
AU - Cociorva, Daniel
AU - Gao, Xiaoyang
AU - Harrison, Robert J.
AU - Hirata, So
AU - Krishnamoorthy, Sriram
AU - Krishnan, Sandhya
AU - Lam, Chi Chung
AU - Lu, Qingda
AU - Nooijen, Marcel
AU - Pitzer, Russell M.
AU - Ramanujam, J.
AU - Sadayappan, P.
AU - Sibiryakov, Alexander
N1 - Funding Information:
Manuscript received November 17, 2003; revised October 15, 2004. This work was supported in part by the National Science Foundation under Awards CHE-0121676, CHE-0121706, CCR-0073800, and EIA-9986052 and in part by the U.S. Department of Energy under Award DE-AC05-00OR22725.
PY - 2005/2
Y1 - 2005/2
N2 - 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 performance optimization issues that they address.
AB - 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 performance optimization issues that they address.
KW - Communication minimization
KW - Compiler optimizations
KW - Data locality optimization
KW - Domain-specific languages
KW - High-level programming languages
KW - Memory-constrained optimization
KW - Tensor contraction expressions
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U2 - 10.1109/JPROC.2004.840311
DO - 10.1109/JPROC.2004.840311
M3 - Article
AN - SCOPUS:20744453223
SN - 0018-9219
VL - 93
SP - 276
EP - 291
JO - Proceedings of the IEEE
JF - Proceedings of the IEEE
IS - 2
ER -