A Locality-Based Threading Algorithm for the Configuration-Interaction Method

The Configuration Interaction (CI) method has been widely used to solve the non-relativistic many-body Schrodinger equation. One great challenge to implementing it efficiently on manycore architectures is its immense memory and data movement requirements. To address this issue, within each node, we...

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Vydáno v:2017 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) s. 1178 - 1187
Hlavní autoři: Shan, Hongzhang, Williams, Samuel, Johnson, Calvin, McElvain, Kenneth
Médium: Konferenční příspěvek
Jazyk:angličtina
Vydáno: IEEE 03.07.2017
Témata:
bigstick
configuration-interaction method
hybrid programming model
Instruction sets
Ivy bridge
knights landing
locality-based threading algorithm
Manycore
Memory management
MPI
multithreading
Neutrons
OpenMP
Partitioning algorithms
Protons
Sparse matrices
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Shrnutí:The Configuration Interaction (CI) method has been widely used to solve the non-relativistic many-body Schrodinger equation. One great challenge to implementing it efficiently on manycore architectures is its immense memory and data movement requirements. To address this issue, within each node, we exploit a hybrid MPI+OpenMP programming model in lieu of the traditional flat MPI programming model. In this paper, we develop optimizations that partition the workloads among OpenMP threads based on data locality,-which is essential in ensuring applications with complex data access patterns scale well on manycore architectures. The new algorithm scales to 256 threadson the 64-core Intel Knights Landing (KNL) manycore processor and 24 threads on dual-socket Ivy Bridge (Xeon) nodes. Compared with the original implementation, the performance has been improved by up to 7× on theKnights Landing processor and 3× on the dual-socket Ivy Bridge node.
DOI:10.1109/IPDPSW.2017.15