Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

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

Journal Article · · International Journal of Quantum Chemistry
DOI:https://doi.org/10.1002/qua.25926· OSTI ID:1509576
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.
Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Organization:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1509576
Journal Information:
International Journal of Quantum Chemistry, Journal Name: International Journal of Quantum Chemistry Journal Issue: 12 Vol. 119; ISSN 0020-7608
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English

References (13)

General atomic and molecular electronic structure system journal November 1993
Exploiting GPUs with the Super Instruction Architecture journal August 2014
Automatic Task-Based Code Generation for High Performance Domain Specific Embedded Language journal March 2015
Heterogeneous parallel and distributed computing journal December 1999
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations journal September 2010
A massively parallel tensor contraction framework for coupled-cluster computations journal December 2014
Many – Body Methods in Chemistry and Physics book January 2009
Parallel implementation of electronic structure energy, gradient, and Hessian calculations journal May 2008
Super instruction architecture of petascale electronic structure software: the story journal November 2010
The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science journal May 2014
Numerical linear algebra on emerging architectures: The PLASMA and MAGMA projects journal July 2009
The Open Community Runtime: A runtime system for extreme scale computing conference September 2016
Replicated Computational Results Certified BLIS: A Framework for Rapidly Instantiating BLAS Functionality journal June 2015

Cited By (1)

Establishing the Quantum Supremacy Frontier with a 281 Pflop/s Simulation text January 2019

Similar Records

ExaTENSOR
Software · Wed Mar 20 20:00:00 EDT 2019 · OSTI ID:code-45756

Performance Analysis of Scientific Computing Workloads on Trusted Execution Environments
Technical Report · Sun Oct 25 00:00:00 EDT 2020 · OSTI ID:1768054

Uniprocessor Performance Analysis of a Representative Workload of Sandia National Laboratories' Scientific Applications.
Technical Report · Sat Oct 01 00:00:00 EDT 2005 · OSTI ID:1143329