Paper Info
Title
Global-view coefficients: a data management solution for parallel quantum Monte Carlo applications.
Abstract
Quantum Monte Carlo QMC applications perform simulation with respect to an initial state of the quantum mechanical system, which is often captured by using a cubic B-spline basis. This representation is stored as a read-only table of coefficients and accesses to the table are generated at random as part of the Monte Carlo simulation. Current QMC applications, such as QWalk and QMCPACK, replicate this table at every process or node, which limits scalability because increasing the number of processors does not enable larger systems to be run. We present a partitioned global address space approach to transparently managing this data using Global Arrays in a manner that allows the memory of multiple nodes to be aggregated. We develop an automated data management system that significantly reduces communication overheads, enabling new capabilities for QMC codes. Experimental results with QWalk and QMCPACK demonstrate the effectiveness of the data management system. Copyright © 2016 John Wiley & Sons, Ltd.
Year
DOI
Venue
2016
10.1002/cpe.3748
Concurrency and Computation: Practice and Experience
Keywords
Field
DocType
quantum Monte Carlo,global arrays,PGAS
Monte Carlo method,Computer science,Parallel computing,Global Arrays,Partitioned global address space,Quantum Monte Carlo,Data management,Replicate,Mechanical system,Scalability,Distributed computing
Journal
Volume
Issue
ISSN
28
13
1532-0626
Citations 
PageRank 
References 
2
0.42
9
Authors
8
Name
Order
Citations
PageRank
Qingpeng Niu1362.18
James Dinan227814.12
Sravya Tirukkovalur330.83
Anouar Benali421.10
Jeongnim Kim551.60
Lubos Mitas67020.27
Lucas K. Wagner7101.44
P. Sadayappan84821344.32