Synthesis of high-performance parallel programs for a class of Ab Initio quantum chemistry models

被引：112

作者：

Baumgartner, G ^{[1
]}

Auer, AA

Bernholdt, DE

Bibireata, A

Choppella, V

Cociorva, D

Gao, XY

Harrison, RJ

Hirata, S

Krishnamoorthy, S

Krishnan, S

Lam, CC

Lu, QD

Nooijen, M

Pitzer, RM

Ramanujam, J

Sadayappan, P

Sibiryakov, A

机构：

[1] Louisiana State Univ, Dept Comp Sci, Baton Rouge, LA 70803 USA

[2] Tech Univ Chemnitz, Inst Chem, D-09111 Chemnitz, Germany

[3] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA

[4] Ohio State Univ, Dept Comp Sci & Engn, Columbus, OH 43210 USA

[5] Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA

[6] Univ Waterloo, Dept Chem, Waterloo, ON N2L 6B4, Canada

[7] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA

[8] Louisiana State Univ, Dept Elect & Comp Engn, Baton Rouge, LA 70803 USA

[9] Microsoft Corp, Redmond, WA 98052 USA

来源：

PROCEEDINGS OF THE IEEE | 2005年 / 93卷 / 02期

关键词：

communication minimization; compiler optimization; data locality optimization; domain-specific languages; high-level programming languages; memory-constrained optimization; tensor contraction expressions;

D O I：

10.1109/JPROC.2004.840311

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

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-le vel 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.

引用

页码：276 / 292

页数：17

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