Massively parallel sparse matrix function calculations with NTPoly

Main Author: Ballantyne, John
Other Authors: Dawson, William, Nakajima, Takahito
Format: Dataset
Terbitan: Mendeley , 2018
Subjects:
Online Access: https:/data.mendeley.com/datasets/mp7wzj5z5t
ctrlnum 0.17632-mp7wzj5z5t.1
fullrecord <?xml version="1.0"?> <dc><creator>Ballantyne, John</creator><title>Massively parallel sparse matrix function calculations with NTPoly</title><publisher>Mendeley</publisher><description>We present NTPoly, a massively parallel library for computing the functions of sparse, symmetric matrices. The theory of matrix functions is a well developed framework with a wide range of applications including differential equations, graph theory, and electronic structure calculations. One particularly important application area are diagonalization free methods in quantum chemistry. When the input and output of the matrix function are sparse, methods based on polynomial expansions can be used to compute matrix functions in linear time. We present a library based on these methods that can compute a variety of matrix functions. Distributed memory parallelization is based on a communication avoiding sparse matrix multiplication algorithm. OpenMP task parallellization is utilized to implement hybrid parallelization. We describe NTPoly&#x2019;s interface and show how it can be integrated with programs written in many different programming languages. We demonstrate the merits of NTPoly by performing large scale calculations on the K computer.</description><subject>Computational Physics</subject><contributor>Dawson, William</contributor><contributor>Nakajima, Takahito</contributor><type>Other:Dataset</type><identifier>10.17632/mp7wzj5z5t.1</identifier><rights>MIT License</rights><rights>http://opensource.org/licenses/MIT</rights><relation>https:/data.mendeley.com/datasets/mp7wzj5z5t</relation><date>2018-02-06T14:43:30Z</date><recordID>0.17632-mp7wzj5z5t.1</recordID></dc>
format Other:Dataset
Other
author Ballantyne, John
author2 Dawson, William
Nakajima, Takahito
title Massively parallel sparse matrix function calculations with NTPoly
publisher Mendeley
publishDate 2018
topic Computational Physics
url https:/data.mendeley.com/datasets/mp7wzj5z5t
contents We present NTPoly, a massively parallel library for computing the functions of sparse, symmetric matrices. The theory of matrix functions is a well developed framework with a wide range of applications including differential equations, graph theory, and electronic structure calculations. One particularly important application area are diagonalization free methods in quantum chemistry. When the input and output of the matrix function are sparse, methods based on polynomial expansions can be used to compute matrix functions in linear time. We present a library based on these methods that can compute a variety of matrix functions. Distributed memory parallelization is based on a communication avoiding sparse matrix multiplication algorithm. OpenMP task parallellization is utilized to implement hybrid parallelization. We describe NTPoly’s interface and show how it can be integrated with programs written in many different programming languages. We demonstrate the merits of NTPoly by performing large scale calculations on the K computer.
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institution Universitas Islam Indragiri
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