TY - GEN
T1 - A global address space approach to automated data management for parallel Quantum Monte Carlo applications
AU - Niu, Qingpeng
AU - Dinan, James
AU - Tirukkovalur, Sravya
AU - Mitas, Lubos
AU - Wagner, Lucas Kyle
AU - Sadayappan, P.
PY - 2012
Y1 - 2012
N2 - 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 (PGAS) 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 the QWalk application demonstrate the effectiveness of the data management system.
AB - 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 (PGAS) 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 the QWalk application demonstrate the effectiveness of the data management system.
KW - Global Arrays
KW - PGAS
KW - Quantum Monte Carlo
UR - http://www.scopus.com/inward/record.url?scp=84880315464&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84880315464&partnerID=8YFLogxK
U2 - 10.1109/HiPC.2012.6507509
DO - 10.1109/HiPC.2012.6507509
M3 - Conference contribution
AN - SCOPUS:84880315464
SN - 9781467323703
T3 - 2012 19th International Conference on High Performance Computing, HiPC 2012
BT - 2012 19th International Conference on High Performance Computing, HiPC 2012
T2 - 2012 19th International Conference on High Performance Computing, HiPC 2012
Y2 - 18 December 2012 through 21 December 2012
ER -