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Title: Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures

Abstract

We advocate domain-specific virtual processors (DSVP) as a portability layer for expressing and executing domain-specific computational workloads on modern heterogeneous HPC architectures, with applications in quantum chemistry. Specifically, in this article we extend, generalize and better formalize the concept of a domain-specific virtual processor as applied to scientific high-performance computing. In particular, we introduce a system-wide recursive (hierarchical) hardware encapsulation mechanism into the DSVP architecture and specify a concrete microarchitectural design of an abstract DSVP from which specialized DSVP implementations can be derived for specific scientific domains. Furthermore, we demonstrate, an example of a domain-specific virtual processor specialized to numerical tensor algebra workloads, which is implemented in the ExaTENSOR library developed by the author with a primary focus on the quantum many-body computational workloads on large-scale GPU-accelerated HPC platforms.

Authors:
ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
OSTI Identifier:
1509576
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
International Journal of Quantum Chemistry
Additional Journal Information:
Journal Volume: 119; Journal Issue: 12; Journal ID: ISSN 0020-7608
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING; heterogeneous node architecture; high‐performance computing; numerical tensor algebra; scientific computing; virtual machine

Citation Formats

Lyakh, Dmitry I. Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures. United States: N. p., 2019. Web. doi:10.1002/qua.25926.
Lyakh, Dmitry I. Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures. United States. doi:10.1002/qua.25926.
Lyakh, Dmitry I. Tue . "Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures". United States. doi:10.1002/qua.25926.
@article{osti_1509576,
title = {Domain-specific virtual processors as a portable programming and execution model for parallel computational workloads on modern heterogeneous high-performance computing architectures},
author = {Lyakh, Dmitry I.},
abstractNote = {We advocate domain-specific virtual processors (DSVP) as a portability layer for expressing and executing domain-specific computational workloads on modern heterogeneous HPC architectures, with applications in quantum chemistry. Specifically, in this article we extend, generalize and better formalize the concept of a domain-specific virtual processor as applied to scientific high-performance computing. In particular, we introduce a system-wide recursive (hierarchical) hardware encapsulation mechanism into the DSVP architecture and specify a concrete microarchitectural design of an abstract DSVP from which specialized DSVP implementations can be derived for specific scientific domains. Furthermore, we demonstrate, an example of a domain-specific virtual processor specialized to numerical tensor algebra workloads, which is implemented in the ExaTENSOR library developed by the author with a primary focus on the quantum many-body computational workloads on large-scale GPU-accelerated HPC platforms.},
doi = {10.1002/qua.25926},
journal = {International Journal of Quantum Chemistry},
issn = {0020-7608},
number = 12,
volume = 119,
place = {United States},
year = {2019},
month = {3}
}

Journal Article:
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Works referenced in this record:

General atomic and molecular electronic structure system
journal, November 1993

  • Schmidt, Michael W.; Baldridge, Kim K.; Boatz, Jerry A.
  • Journal of Computational Chemistry, Vol. 14, Issue 11, p. 1347-1363
  • DOI: 10.1002/jcc.540141112

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010

  • Valiev, M.; Bylaska, E. J.; Govind, N.
  • Computer Physics Communications, Vol. 181, Issue 9, p. 1477-1489
  • DOI: 10.1016/j.cpc.2010.04.018