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PRODID:-//Microsoft Corporation//Outlook MIMEDIR//EN
VERSION:1.0
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DTSTART:20111116T011500Z
DTEND:20111116T030000Z
LOCATION:WSCC North Galleria 2nd/3rd Floors
DESCRIPTION;ENCODING=QUOTED-PRINTABLE:ABSTRACT: Quantum Monte Carlo (QMC) simulations are among the most accurate ab initio methods  describing the many-particle systems properties. Computations perform accesses to an ensemble data structure describing the system quantum state.  The ensemble data grows rapidly with the system size and desired resolution.  For leadership-scale simulations, this structure requires more space than is provided within current and future compute nodes.  Global Arrays provides a global address space programming model that allows the aggregation of the memory of several nodes, providing the space needed to increase the capabilities of QMC. We have extended the QMCPack package with an automated layer for managing ensemble data that is built on top of GA.  Using this system, we have performed simulations of van der Waals systems.  We present these results and use this simulation to characterize the performance of our data management layer and evaluate the effectiveness of several techniques for managing communication overhead.
SUMMARY:A Global Address Space Approach to Data Management for Quantum Monte Carlo Simulation of van der Waals systems
PRIORITY:3
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