Paper Info
Title
Resolutions of the Coulomb operator: VIII. Parallel implementation using the modern programming language X10.
Abstract
Use of the modern parallel programming language X10 for computing long-range Coulomb and exchange interactions is presented. By using X10, a partitioned global address space language with support for task parallelism and the explicit representation of data locality, the resolution of the Ewald operator can be parallelized in a straightforward manner including use of both intranode and internode parallelism. We evaluate four different schemes for dynamic load balancing of integral calculation using X10's work stealing runtime, and report performance results for long-range HF energy calculation of large molecule/high quality basis running on up to 1024 cores of a high performance cluster machine. (C) 2014 Wiley Periodicals, Inc.
Year
DOI
Venue
2014
10.1002/jcc.23720
JOURNAL OF COMPUTATIONAL CHEMISTRY
Keywords
Field
DocType
resolutions of the Coulomb operator,X10 programming language,screened Coulomb operator
Coulomb,Locality,Computer science,Task parallelism,Computational chemistry,Parallel computing,Parallel programming model,Coulomb operator,Operator (computer programming),Work stealing,Partitioned global address space
Journal
Volume
Issue
ISSN
35.0
28
0192-8651
Citations 
PageRank 
References 
0
0.34
1
Authors
3
Name
Order
Citations
PageRank
Taweetham Limpanuparb100.34
Josh Milthorpe2284.67
Alistair P. Rendell320934.55