4.7 Article

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

Journal

PROCEEDINGS OF THE IEEE
Volume 93, Issue 2, Pages 276-292

Publisher

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
DOI: 10.1109/JPROC.2004.840311

Keywords

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

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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.

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