Article

A high-level approach to synthesis of high-performance codes for quantum chemistry

Authors:

Gerald Baumgartner,

David E. Bernholdt,

Daniel Cociorva,

Robert Harrison,

Marcel Nooijen,

Russell Pitzer,

P. SadayappanAuthors Info & Claims

SC '02: Proceedings of the 2002 ACM/IEEE conference on Supercomputing

Pages 1 - 10

Published: 16 November 2002 Publication History

Abstract

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 computational chemistry is used to illustrate how different code structures are generated under different assumptions of available memory on the target computer.

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Rajbhandari SKim JKrishnamoorthy SPouchet LRastello FHarrison RSadayappan PWest J(2016)A domain-specific compiler for a parallel multiresolution adaptive numerical simulation environmentProceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis10.5555/3014904.3014958(1-12)Online publication date: 13-Nov-2016
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A high-level approach to synthesis of high-performance codes for quantum chemistry

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Published In

cover image ACM Conferences

SC '02: Proceedings of the 2002 ACM/IEEE conference on Supercomputing

November 2002

952 pages

ISBN:076951524X

Conference Chair:
Roscoe Giles
Boston University
,
Program Chair:
Daniel Reed
NCSA
,
Publications Chair:
Kathryn Kelley
Ohio Supercomputer Center

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SIGARCH: ACM Special Interest Group on Computer Architecture
IEEE-CS: Computer Society

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IEEE Computer Society Press

Washington, DC, United States

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Published: 16 November 2002

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SC '02: International Conference for High Performance Computing, Networking, Storage and Analysis

16 11 2002

Maryland, Baltimore

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SC '02 Paper Acceptance Rate 67 of 230 submissions, 29%;

Overall Acceptance Rate 1,516 of 6,373 submissions, 24%

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Cited By

Gottschlich JSolar-Lezama ATatbul NCarbin MRinard MBarzilay RAmarasinghe STenenbaum JMattson TGottschlich JCheung A(2018)The three pillars of machine programmingProceedings of the 2nd ACM SIGPLAN International Workshop on Machine Learning and Programming Languages10.1145/3211346.3211355(69-80)Online publication date: 18-Jun-2018
https://dl.acm.org/doi/10.1145/3211346.3211355
Rajbhandari SKim JKrishnamoorthy SPouchet LRastello FHarrison RSadayappan PWest J(2016)A domain-specific compiler for a parallel multiresolution adaptive numerical simulation environmentProceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis10.5555/3014904.3014958(1-12)Online publication date: 13-Nov-2016
https://dl.acm.org/doi/10.5555/3014904.3014958
Liu CJamal MKulkarni MPrakash APai VMalony ANemirovsky MMidkiff S(2013)Exploiting domain knowledge to optimize parallel computational mechanics codesProceedings of the 27th international ACM conference on International conference on supercomputing10.1145/2464996.2464998(25-36)Online publication date: 10-Jun-2013
https://dl.acm.org/doi/10.1145/2464996.2464998
Stock KPouchet LSadayappan P(2012)Using machine learning to improve automatic vectorizationACM Transactions on Architecture and Code Optimization10.1145/2086696.20867298:4(1-23)Online publication date: 26-Jan-2012
https://dl.acm.org/doi/10.1145/2086696.2086729
Palyart MLugato DOber IBruel J(2011)MDE4HPCProceedings of the 15th international conference on Integrating System and Software Modeling10.1007/978-3-642-25264-8_19(247-261)Online publication date: 5-Jul-2011
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Krishnamoorthy SCatalyurek UNieplocha JSadayappan P(2006)An approach to locality-conscious load balancing and transparent memory hierarchy management with a global- address-space parallel programming modelProceedings of the 20th international conference on Parallel and distributed processing10.5555/1898699.1898947(383-383)Online publication date: 25-Apr-2006
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Krishnamoorthy SCatalyurek UNieplocha JRountev ASadayappan S(2006)An extensible global address space framework with decoupled task and data abstractionsProceedings of the 20th international conference on Parallel and distributed processing10.5555/1898699.1898804(283-283)Online publication date: 25-Apr-2006
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Krishnamoorthy SCatalyurek UNieplocha JRountev ASadayappan PHorner-Miller B(2006)Hypergraph partitioning for automatic memory hierarchy managementProceedings of the 2006 ACM/IEEE conference on Supercomputing10.1145/1188455.1188558(98-es)Online publication date: 11-Nov-2006
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Krishnan SKrishnamoorthy SBaumgartner GLam CRamanujam JSadayappan PChoppella V(2006)Efficient synthesis of out-of-core algorithms using a nonlinear optimization solverJournal of Parallel and Distributed Computing10.1016/j.jpdc.2005.06.01766:5(659-673)Online publication date: 1-May-2006
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Gao XSahoo SLam CRamanujam JLu QBaumgartner GSadayappan PPingali KYelick KGrimshaw A(2005)Performance modeling and optimization of parallel out-of-core tensor contractionsProceedings of the tenth ACM SIGPLAN symposium on Principles and practice of parallel programming10.1145/1065944.1065980(266-276)Online publication date: 15-Jun-2005
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